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-d56c09d7/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d56c09d7/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-d56c09d7/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d56c09d7/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-d56c09d7/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d56c09d7/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-d56c09d7/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d56c09d7/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-d56c09d7/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d56c09d7/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-d56c09d7/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d56c09d7/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-d56c09d7/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d56c09d7/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-d56c09d7/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d56c09d7/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-d56c09d7/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d56c09d7/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-d56c09d7/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d56c09d7/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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -830.074207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.074207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.074207 (E_RNA) where: Base-Base interactions energy: -307.916 where: short stacking energy: -287.908 Base-Backbone interact. energy: -1.110 local terms energy: -521.048492 where: bonds (distance) C4'-P energy: -146.774 bonds (distance) P-C4' energy: -141.137 flat angles C4'-P-C4' energy: -129.230 flat angles P-C4'-P energy: -82.001 tors. eta vs tors. theta energy: -21.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -750.813323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.813323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.813323 (E_RNA) where: Base-Base interactions energy: -290.927 where: short stacking energy: -222.988 Base-Backbone interact. energy: -1.923 local terms energy: -457.963810 where: bonds (distance) C4'-P energy: -110.666 bonds (distance) P-C4' energy: -150.825 flat angles C4'-P-C4' energy: -132.528 flat angles P-C4'-P energy: -68.074 tors. eta vs tors. theta energy: 4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -720.355923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.355923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.355923 (E_RNA) where: Base-Base interactions energy: -262.024 where: short stacking energy: -217.156 Base-Backbone interact. energy: 3.046 local terms energy: -461.377279 where: bonds (distance) C4'-P energy: -127.155 bonds (distance) P-C4' energy: -137.797 flat angles C4'-P-C4' energy: -121.175 flat angles P-C4'-P energy: -75.645 tors. eta vs tors. theta energy: 0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1413.972076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.972076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.972076 (E_RNA) where: Base-Base interactions energy: -647.240 where: short stacking energy: -623.653 Base-Backbone interact. energy: -0.369 local terms energy: -766.363307 where: bonds (distance) C4'-P energy: -165.934 bonds (distance) P-C4' energy: -160.242 flat angles C4'-P-C4' energy: -176.954 flat angles P-C4'-P energy: -125.479 tors. eta vs tors. theta energy: -137.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1334.729591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.729591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.729591 (E_RNA) where: Base-Base interactions energy: -605.896 where: short stacking energy: -605.703 Base-Backbone interact. energy: 0.388 local terms energy: -729.221284 where: bonds (distance) C4'-P energy: -162.482 bonds (distance) P-C4' energy: -150.412 flat angles C4'-P-C4' energy: -146.630 flat angles P-C4'-P energy: -114.367 tors. eta vs tors. theta energy: -155.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1309.059778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.059778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.059778 (E_RNA) where: Base-Base interactions energy: -634.098 where: short stacking energy: -578.374 Base-Backbone interact. energy: 1.294 local terms energy: -676.255982 where: bonds (distance) C4'-P energy: -140.112 bonds (distance) P-C4' energy: -162.285 flat angles C4'-P-C4' energy: -141.648 flat angles P-C4'-P energy: -99.310 tors. eta vs tors. theta energy: -132.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1150.674220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.674220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.674220 (E_RNA) where: Base-Base interactions energy: -500.645 where: short stacking energy: -471.102 Base-Backbone interact. energy: -0.951 local terms energy: -649.078003 where: bonds (distance) C4'-P energy: -138.078 bonds (distance) P-C4' energy: -163.353 flat angles C4'-P-C4' energy: -153.018 flat angles P-C4'-P energy: -93.881 tors. eta vs tors. theta energy: -100.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1115.857158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.857158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.857158 (E_RNA) where: Base-Base interactions energy: -542.485 where: short stacking energy: -469.819 Base-Backbone interact. energy: 0.713 local terms energy: -574.085437 where: bonds (distance) C4'-P energy: -134.957 bonds (distance) P-C4' energy: -134.302 flat angles C4'-P-C4' energy: -150.875 flat angles P-C4'-P energy: -76.685 tors. eta vs tors. theta energy: -77.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1124.641459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.641459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.641459 (E_RNA) where: Base-Base interactions energy: -588.381 where: short stacking energy: -380.417 Base-Backbone interact. energy: -1.257 local terms energy: -535.003626 where: bonds (distance) C4'-P energy: -141.441 bonds (distance) P-C4' energy: -138.397 flat angles C4'-P-C4' energy: -126.651 flat angles P-C4'-P energy: -81.140 tors. eta vs tors. theta energy: -47.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -919.848611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.848611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.848611 (E_RNA) where: Base-Base interactions energy: -405.020 where: short stacking energy: -305.394 Base-Backbone interact. energy: 0.795 local terms energy: -515.624237 where: bonds (distance) C4'-P energy: -158.303 bonds (distance) P-C4' energy: -128.897 flat angles C4'-P-C4' energy: -136.879 flat angles P-C4'-P energy: -64.410 tors. eta vs tors. theta energy: -27.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -791.863812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.863812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.863812 (E_RNA) where: Base-Base interactions energy: -318.948 where: short stacking energy: -285.187 Base-Backbone interact. energy: 5.955 local terms energy: -478.870717 where: bonds (distance) C4'-P energy: -125.765 bonds (distance) P-C4' energy: -150.257 flat angles C4'-P-C4' energy: -118.337 flat angles P-C4'-P energy: -70.827 tors. eta vs tors. theta energy: -13.684 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -836.252691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.252691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.252691 (E_RNA) where: Base-Base interactions energy: -378.903 where: short stacking energy: -286.404 Base-Backbone interact. energy: 3.802 local terms energy: -461.151795 where: bonds (distance) C4'-P energy: -135.526 bonds (distance) P-C4' energy: -143.942 flat angles C4'-P-C4' energy: -101.667 flat angles P-C4'-P energy: -73.985 tors. eta vs tors. theta energy: -6.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -706.426652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.426652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.426652 (E_RNA) where: Base-Base interactions energy: -301.581 where: short stacking energy: -244.291 Base-Backbone interact. energy: 8.471 local terms energy: -413.317354 where: bonds (distance) C4'-P energy: -115.588 bonds (distance) P-C4' energy: -129.847 flat angles C4'-P-C4' energy: -108.117 flat angles P-C4'-P energy: -66.221 tors. eta vs tors. theta energy: 6.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1573.009751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.009751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.009751 (E_RNA) where: Base-Base interactions energy: -764.598 where: short stacking energy: -700.561 Base-Backbone interact. energy: 0.283 local terms energy: -808.695041 where: bonds (distance) C4'-P energy: -157.525 bonds (distance) P-C4' energy: -178.444 flat angles C4'-P-C4' energy: -182.647 flat angles P-C4'-P energy: -107.502 tors. eta vs tors. theta energy: -182.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1406.995731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.995731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.995731 (E_RNA) where: Base-Base interactions energy: -647.520 where: short stacking energy: -621.546 Base-Backbone interact. energy: -0.642 local terms energy: -758.834062 where: bonds (distance) C4'-P energy: -146.250 bonds (distance) P-C4' energy: -171.789 flat angles C4'-P-C4' energy: -166.951 flat angles P-C4'-P energy: -107.422 tors. eta vs tors. theta energy: -166.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1343.154987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.154987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.154987 (E_RNA) where: Base-Base interactions energy: -655.852 where: short stacking energy: -556.500 Base-Backbone interact. energy: 0.799 local terms energy: -688.102486 where: bonds (distance) C4'-P energy: -161.411 bonds (distance) P-C4' energy: -148.599 flat angles C4'-P-C4' energy: -163.604 flat angles P-C4'-P energy: -95.308 tors. eta vs tors. theta energy: -119.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1148.684704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.684704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.684704 (E_RNA) where: Base-Base interactions energy: -498.263 where: short stacking energy: -460.187 Base-Backbone interact. energy: 1.850 local terms energy: -652.271698 where: bonds (distance) C4'-P energy: -138.522 bonds (distance) P-C4' energy: -167.268 flat angles C4'-P-C4' energy: -144.419 flat angles P-C4'-P energy: -108.171 tors. eta vs tors. theta energy: -93.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1148.256529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.256529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.256529 (E_RNA) where: Base-Base interactions energy: -566.233 where: short stacking energy: -427.816 Base-Backbone interact. energy: -0.318 local terms energy: -581.705010 where: bonds (distance) C4'-P energy: -127.428 bonds (distance) P-C4' energy: -141.567 flat angles C4'-P-C4' energy: -163.059 flat angles P-C4'-P energy: -84.167 tors. eta vs tors. theta energy: -65.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1122.360833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.360833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.360833 (E_RNA) where: Base-Base interactions energy: -577.426 where: short stacking energy: -406.851 Base-Backbone interact. energy: 3.167 local terms energy: -548.101942 where: bonds (distance) C4'-P energy: -134.595 bonds (distance) P-C4' energy: -131.964 flat angles C4'-P-C4' energy: -129.804 flat angles P-C4'-P energy: -86.945 tors. eta vs tors. theta energy: -64.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -1037.239297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.239297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.239297 (E_RNA) where: Base-Base interactions energy: -511.175 where: short stacking energy: -377.718 Base-Backbone interact. energy: -1.108 local terms energy: -524.957105 where: bonds (distance) C4'-P energy: -128.212 bonds (distance) P-C4' energy: -155.469 flat angles C4'-P-C4' energy: -137.285 flat angles P-C4'-P energy: -58.951 tors. eta vs tors. theta energy: -45.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -893.633451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.633451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.633451 (E_RNA) where: Base-Base interactions energy: -408.680 where: short stacking energy: -288.091 Base-Backbone interact. energy: 1.107 local terms energy: -486.061024 where: bonds (distance) C4'-P energy: -135.275 bonds (distance) P-C4' energy: -126.171 flat angles C4'-P-C4' energy: -126.027 flat angles P-C4'-P energy: -77.081 tors. eta vs tors. theta energy: -21.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -708.271144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.271144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.271144 (E_RNA) where: Base-Base interactions energy: -300.672 where: short stacking energy: -228.331 Base-Backbone interact. energy: 5.478 local terms energy: -413.077331 where: bonds (distance) C4'-P energy: -153.144 bonds (distance) P-C4' energy: -116.512 flat angles C4'-P-C4' energy: -96.639 flat angles P-C4'-P energy: -52.794 tors. eta vs tors. theta energy: 6.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -690.675893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.675893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.675893 (E_RNA) where: Base-Base interactions energy: -289.419 where: short stacking energy: -223.981 Base-Backbone interact. energy: -4.043 local terms energy: -397.213970 where: bonds (distance) C4'-P energy: -101.989 bonds (distance) P-C4' energy: -144.991 flat angles C4'-P-C4' energy: -101.465 flat angles P-C4'-P energy: -79.394 tors. eta vs tors. theta energy: 30.625 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: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1496.785248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.785248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.785248 (E_RNA) where: Base-Base interactions energy: -723.897 where: short stacking energy: -645.971 Base-Backbone interact. energy: 1.562 local terms energy: -774.449665 where: bonds (distance) C4'-P energy: -163.020 bonds (distance) P-C4' energy: -172.895 flat angles C4'-P-C4' energy: -169.628 flat angles P-C4'-P energy: -112.825 tors. eta vs tors. theta energy: -156.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1402.242187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.242187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.242187 (E_RNA) where: Base-Base interactions energy: -631.950 where: short stacking energy: -600.464 Base-Backbone interact. energy: 1.828 local terms energy: -772.120372 where: bonds (distance) C4'-P energy: -162.546 bonds (distance) P-C4' energy: -183.865 flat angles C4'-P-C4' energy: -154.743 flat angles P-C4'-P energy: -114.024 tors. eta vs tors. theta energy: -156.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1359.470917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.470917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.470917 (E_RNA) where: Base-Base interactions energy: -694.944 where: short stacking energy: -520.778 Base-Backbone interact. energy: -0.116 local terms energy: -664.411120 where: bonds (distance) C4'-P energy: -143.134 bonds (distance) P-C4' energy: -164.268 flat angles C4'-P-C4' energy: -155.265 flat angles P-C4'-P energy: -89.468 tors. eta vs tors. theta energy: -112.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1284.823896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.823896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.823896 (E_RNA) where: Base-Base interactions energy: -626.906 where: short stacking energy: -516.280 Base-Backbone interact. energy: -0.444 local terms energy: -657.473518 where: bonds (distance) C4'-P energy: -136.341 bonds (distance) P-C4' energy: -167.879 flat angles C4'-P-C4' energy: -155.238 flat angles P-C4'-P energy: -91.155 tors. eta vs tors. theta energy: -106.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1210.606913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.606913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.606913 (E_RNA) where: Base-Base interactions energy: -584.266 where: short stacking energy: -437.914 Base-Backbone interact. energy: 2.512 local terms energy: -628.852898 where: bonds (distance) C4'-P energy: -144.124 bonds (distance) P-C4' energy: -149.999 flat angles C4'-P-C4' energy: -151.153 flat angles P-C4'-P energy: -111.714 tors. eta vs tors. theta energy: -71.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1168.863703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.863703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.863703 (E_RNA) where: Base-Base interactions energy: -582.630 where: short stacking energy: -418.362 Base-Backbone interact. energy: 1.458 local terms energy: -587.691959 where: bonds (distance) C4'-P energy: -154.498 bonds (distance) P-C4' energy: -124.515 flat angles C4'-P-C4' energy: -148.924 flat angles P-C4'-P energy: -106.070 tors. eta vs tors. theta energy: -53.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1117.766124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.766124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.766124 (E_RNA) where: Base-Base interactions energy: -592.424 where: short stacking energy: -375.915 Base-Backbone interact. energy: -2.664 local terms energy: -522.678413 where: bonds (distance) C4'-P energy: -129.684 bonds (distance) P-C4' energy: -139.894 flat angles C4'-P-C4' energy: -126.956 flat angles P-C4'-P energy: -84.062 tors. eta vs tors. theta energy: -42.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -955.960549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.960549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.960549 (E_RNA) where: Base-Base interactions energy: -487.876 where: short stacking energy: -313.583 Base-Backbone interact. energy: -2.065 local terms energy: -466.019530 where: bonds (distance) C4'-P energy: -124.971 bonds (distance) P-C4' energy: -152.751 flat angles C4'-P-C4' energy: -115.887 flat angles P-C4'-P energy: -69.900 tors. eta vs tors. theta energy: -2.511 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: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -810.975399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.975399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.975399 (E_RNA) where: Base-Base interactions energy: -364.941 where: short stacking energy: -272.313 Base-Backbone interact. energy: -1.112 local terms energy: -444.922640 where: bonds (distance) C4'-P energy: -126.849 bonds (distance) P-C4' energy: -132.111 flat angles C4'-P-C4' energy: -106.813 flat angles P-C4'-P energy: -69.442 tors. eta vs tors. theta energy: -9.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -664.940324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.940324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.940324 (E_RNA) where: Base-Base interactions energy: -236.421 where: short stacking energy: -191.443 Base-Backbone interact. energy: 0.371 local terms energy: -428.889786 where: bonds (distance) C4'-P energy: -139.206 bonds (distance) P-C4' energy: -126.650 flat angles C4'-P-C4' energy: -110.389 flat angles P-C4'-P energy: -67.154 tors. eta vs tors. theta energy: 14.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1555.405090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.405090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.405090 (E_RNA) where: Base-Base interactions energy: -773.863 where: short stacking energy: -697.598 Base-Backbone interact. energy: -0.489 local terms energy: -781.053417 where: bonds (distance) C4'-P energy: -160.771 bonds (distance) P-C4' energy: -152.442 flat angles C4'-P-C4' energy: -168.869 flat angles P-C4'-P energy: -130.638 tors. eta vs tors. theta energy: -168.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1608.374863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.374863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.374863 (E_RNA) where: Base-Base interactions energy: -873.931 where: short stacking energy: -637.731 Base-Backbone interact. energy: -1.631 local terms energy: -732.812800 where: bonds (distance) C4'-P energy: -159.807 bonds (distance) P-C4' energy: -145.306 flat angles C4'-P-C4' energy: -159.878 flat angles P-C4'-P energy: -112.496 tors. eta vs tors. theta energy: -155.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1346.269637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.269637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.269637 (E_RNA) where: Base-Base interactions energy: -656.459 where: short stacking energy: -600.945 Base-Backbone interact. energy: -1.537 local terms energy: -688.273457 where: bonds (distance) C4'-P energy: -151.762 bonds (distance) P-C4' energy: -147.359 flat angles C4'-P-C4' energy: -162.614 flat angles P-C4'-P energy: -97.546 tors. eta vs tors. theta energy: -128.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1358.702935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.702935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.702935 (E_RNA) where: Base-Base interactions energy: -715.756 where: short stacking energy: -522.493 Base-Backbone interact. energy: 2.172 local terms energy: -645.118061 where: bonds (distance) C4'-P energy: -149.358 bonds (distance) P-C4' energy: -158.640 flat angles C4'-P-C4' energy: -147.154 flat angles P-C4'-P energy: -92.107 tors. eta vs tors. theta energy: -97.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1191.333058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.333058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.333058 (E_RNA) where: Base-Base interactions energy: -571.407 where: short stacking energy: -482.099 Base-Backbone interact. energy: 2.384 local terms energy: -622.309710 where: bonds (distance) C4'-P energy: -160.515 bonds (distance) P-C4' energy: -143.304 flat angles C4'-P-C4' energy: -136.103 flat angles P-C4'-P energy: -92.170 tors. eta vs tors. theta energy: -90.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1194.286589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.286589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.286589 (E_RNA) where: Base-Base interactions energy: -629.711 where: short stacking energy: -455.059 Base-Backbone interact. energy: 1.920 local terms energy: -566.495595 where: bonds (distance) C4'-P energy: -122.939 bonds (distance) P-C4' energy: -125.669 flat angles C4'-P-C4' energy: -149.771 flat angles P-C4'-P energy: -89.326 tors. eta vs tors. theta energy: -78.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1208.829421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.829421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.829421 (E_RNA) where: Base-Base interactions energy: -653.864 where: short stacking energy: -392.501 Base-Backbone interact. energy: 4.837 local terms energy: -559.802879 where: bonds (distance) C4'-P energy: -134.056 bonds (distance) P-C4' energy: -152.730 flat angles C4'-P-C4' energy: -142.198 flat angles P-C4'-P energy: -81.919 tors. eta vs tors. theta energy: -48.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -991.422998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.422998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.422998 (E_RNA) where: Base-Base interactions energy: -490.712 where: short stacking energy: -352.252 Base-Backbone interact. energy: 2.006 local terms energy: -502.717160 where: bonds (distance) C4'-P energy: -115.060 bonds (distance) P-C4' energy: -153.303 flat angles C4'-P-C4' energy: -131.825 flat angles P-C4'-P energy: -63.228 tors. eta vs tors. theta energy: -39.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -934.245796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.245796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.245796 (E_RNA) where: Base-Base interactions energy: -487.141 where: short stacking energy: -302.287 Base-Backbone interact. energy: 9.804 local terms energy: -456.908595 where: bonds (distance) C4'-P energy: -131.958 bonds (distance) P-C4' energy: -120.948 flat angles C4'-P-C4' energy: -128.467 flat angles P-C4'-P energy: -67.456 tors. eta vs tors. theta energy: -8.079 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: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -666.871180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.871180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.871180 (E_RNA) where: Base-Base interactions energy: -253.733 where: short stacking energy: -211.795 Base-Backbone interact. energy: 7.878 local terms energy: -421.015992 where: bonds (distance) C4'-P energy: -105.852 bonds (distance) P-C4' energy: -146.841 flat angles C4'-P-C4' energy: -113.192 flat angles P-C4'-P energy: -79.013 tors. eta vs tors. theta energy: 23.882 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1590.318297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.318297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.318297 (E_RNA) where: Base-Base interactions energy: -810.186 where: short stacking energy: -686.469 Base-Backbone interact. energy: -2.126 local terms energy: -778.006392 where: bonds (distance) C4'-P energy: -148.407 bonds (distance) P-C4' energy: -171.924 flat angles C4'-P-C4' energy: -177.608 flat angles P-C4'-P energy: -121.871 tors. eta vs tors. theta energy: -158.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1617.988017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.988017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.988017 (E_RNA) where: Base-Base interactions energy: -889.693 where: short stacking energy: -598.642 Base-Backbone interact. energy: 5.689 local terms energy: -733.984233 where: bonds (distance) C4'-P energy: -167.238 bonds (distance) P-C4' energy: -168.983 flat angles C4'-P-C4' energy: -155.870 flat angles P-C4'-P energy: -107.573 tors. eta vs tors. theta energy: -134.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1523.047611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.047611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.047611 (E_RNA) where: Base-Base interactions energy: -833.512 where: short stacking energy: -555.270 Base-Backbone interact. energy: -1.821 local terms energy: -687.715308 where: bonds (distance) C4'-P energy: -138.962 bonds (distance) P-C4' energy: -173.242 flat angles C4'-P-C4' energy: -159.979 flat angles P-C4'-P energy: -95.069 tors. eta vs tors. theta energy: -120.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1286.802474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.802474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.802474 (E_RNA) where: Base-Base interactions energy: -645.688 where: short stacking energy: -535.666 Base-Backbone interact. energy: 1.457 local terms energy: -642.571827 where: bonds (distance) C4'-P energy: -137.874 bonds (distance) P-C4' energy: -137.982 flat angles C4'-P-C4' energy: -154.026 flat angles P-C4'-P energy: -92.898 tors. eta vs tors. theta energy: -119.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1242.901511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.901511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.901511 (E_RNA) where: Base-Base interactions energy: -614.572 where: short stacking energy: -451.838 Base-Backbone interact. energy: -2.725 local terms energy: -625.603900 where: bonds (distance) C4'-P energy: -158.255 bonds (distance) P-C4' energy: -146.714 flat angles C4'-P-C4' energy: -125.612 flat angles P-C4'-P energy: -96.422 tors. eta vs tors. theta energy: -98.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1284.551560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.551560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.551560 (E_RNA) where: Base-Base interactions energy: -726.579 where: short stacking energy: -428.296 Base-Backbone interact. energy: 3.107 local terms energy: -561.079758 where: bonds (distance) C4'-P energy: -165.104 bonds (distance) P-C4' energy: -141.575 flat angles C4'-P-C4' energy: -126.231 flat angles P-C4'-P energy: -68.412 tors. eta vs tors. theta energy: -59.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1247.296428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.296428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.296428 (E_RNA) where: Base-Base interactions energy: -710.803 where: short stacking energy: -421.071 Base-Backbone interact. energy: 1.865 local terms energy: -538.358371 where: bonds (distance) C4'-P energy: -125.304 bonds (distance) P-C4' energy: -142.071 flat angles C4'-P-C4' energy: -128.004 flat angles P-C4'-P energy: -91.499 tors. eta vs tors. theta energy: -51.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -992.309834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.309834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.309834 (E_RNA) where: Base-Base interactions energy: -519.904 where: short stacking energy: -296.270 Base-Backbone interact. energy: 0.125 local terms energy: -472.531610 where: bonds (distance) C4'-P energy: -131.192 bonds (distance) P-C4' energy: -134.439 flat angles C4'-P-C4' energy: -118.277 flat angles P-C4'-P energy: -82.517 tors. eta vs tors. theta energy: -6.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -941.178666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.178666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.178666 (E_RNA) where: Base-Base interactions energy: -470.850 where: short stacking energy: -302.036 Base-Backbone interact. energy: -2.814 local terms energy: -467.514657 where: bonds (distance) C4'-P energy: -125.239 bonds (distance) P-C4' energy: -147.460 flat angles C4'-P-C4' energy: -117.569 flat angles P-C4'-P energy: -70.601 tors. eta vs tors. theta energy: -6.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -701.949865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.949865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.949865 (E_RNA) where: Base-Base interactions energy: -309.559 where: short stacking energy: -217.689 Base-Backbone interact. energy: 11.288 local terms energy: -403.678455 where: bonds (distance) C4'-P energy: -131.598 bonds (distance) P-C4' energy: -128.884 flat angles C4'-P-C4' energy: -113.296 flat angles P-C4'-P energy: -58.400 tors. eta vs tors. theta energy: 28.499 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: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1649.942506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.942506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.942506 (E_RNA) where: Base-Base interactions energy: -862.391 where: short stacking energy: -684.990 Base-Backbone interact. energy: -0.159 local terms energy: -787.392313 where: bonds (distance) C4'-P energy: -152.626 bonds (distance) P-C4' energy: -170.861 flat angles C4'-P-C4' energy: -178.292 flat angles P-C4'-P energy: -107.744 tors. eta vs tors. theta energy: -177.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1679.114710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.114710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.114710 (E_RNA) where: Base-Base interactions energy: -965.512 where: short stacking energy: -655.593 Base-Backbone interact. energy: -0.374 local terms energy: -713.228489 where: bonds (distance) C4'-P energy: -147.167 bonds (distance) P-C4' energy: -153.910 flat angles C4'-P-C4' energy: -173.501 flat angles P-C4'-P energy: -84.911 tors. eta vs tors. theta energy: -153.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1531.528337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.528337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.528337 (E_RNA) where: Base-Base interactions energy: -837.447 where: short stacking energy: -554.379 Base-Backbone interact. energy: 3.048 local terms energy: -697.129247 where: bonds (distance) C4'-P energy: -135.411 bonds (distance) P-C4' energy: -178.754 flat angles C4'-P-C4' energy: -154.467 flat angles P-C4'-P energy: -94.602 tors. eta vs tors. theta energy: -133.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1395.705047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.705047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.705047 (E_RNA) where: Base-Base interactions energy: -714.746 where: short stacking energy: -525.370 Base-Backbone interact. energy: -3.014 local terms energy: -677.945246 where: bonds (distance) C4'-P energy: -139.662 bonds (distance) P-C4' energy: -166.067 flat angles C4'-P-C4' energy: -163.821 flat angles P-C4'-P energy: -91.938 tors. eta vs tors. theta energy: -116.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1238.330973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.330973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.330973 (E_RNA) where: Base-Base interactions energy: -620.776 where: short stacking energy: -436.139 Base-Backbone interact. energy: -0.107 local terms energy: -617.447480 where: bonds (distance) C4'-P energy: -145.260 bonds (distance) P-C4' energy: -146.677 flat angles C4'-P-C4' energy: -147.045 flat angles P-C4'-P energy: -105.937 tors. eta vs tors. theta energy: -72.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1361.847715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.847715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.847715 (E_RNA) where: Base-Base interactions energy: -769.656 where: short stacking energy: -475.797 Base-Backbone interact. energy: -0.098 local terms energy: -592.093414 where: bonds (distance) C4'-P energy: -130.318 bonds (distance) P-C4' energy: -149.460 flat angles C4'-P-C4' energy: -148.063 flat angles P-C4'-P energy: -88.028 tors. eta vs tors. theta energy: -76.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1207.634909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.634909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.634909 (E_RNA) where: Base-Base interactions energy: -697.549 where: short stacking energy: -379.260 Base-Backbone interact. energy: 1.312 local terms energy: -511.397748 where: bonds (distance) C4'-P energy: -127.263 bonds (distance) P-C4' energy: -129.889 flat angles C4'-P-C4' energy: -132.723 flat angles P-C4'-P energy: -72.405 tors. eta vs tors. theta energy: -49.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1104.527975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.527975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.527975 (E_RNA) where: Base-Base interactions energy: -605.700 where: short stacking energy: -338.118 Base-Backbone interact. energy: 1.673 local terms energy: -500.501827 where: bonds (distance) C4'-P energy: -133.360 bonds (distance) P-C4' energy: -129.238 flat angles C4'-P-C4' energy: -123.806 flat angles P-C4'-P energy: -90.172 tors. eta vs tors. theta energy: -23.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -955.089885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.089885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.089885 (E_RNA) where: Base-Base interactions energy: -475.140 where: short stacking energy: -297.796 Base-Backbone interact. energy: 4.009 local terms energy: -483.958718 where: bonds (distance) C4'-P energy: -139.122 bonds (distance) P-C4' energy: -127.083 flat angles C4'-P-C4' energy: -130.124 flat angles P-C4'-P energy: -71.484 tors. eta vs tors. theta energy: -16.147 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: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -762.612137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.612137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.612137 (E_RNA) where: Base-Base interactions energy: -356.148 where: short stacking energy: -239.389 Base-Backbone interact. energy: -3.070 local terms energy: -403.394269 where: bonds (distance) C4'-P energy: -112.468 bonds (distance) P-C4' energy: -136.430 flat angles C4'-P-C4' energy: -116.776 flat angles P-C4'-P energy: -42.741 tors. eta vs tors. theta energy: 5.020 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: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1642.787918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.787918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.787918 (E_RNA) where: Base-Base interactions energy: -882.674 where: short stacking energy: -687.787 Base-Backbone interact. energy: 12.466 local terms energy: -772.580786 where: bonds (distance) C4'-P energy: -157.344 bonds (distance) P-C4' energy: -163.109 flat angles C4'-P-C4' energy: -178.517 flat angles P-C4'-P energy: -109.773 tors. eta vs tors. theta energy: -163.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1702.394533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.394533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.394533 (E_RNA) where: Base-Base interactions energy: -974.232 where: short stacking energy: -596.549 Base-Backbone interact. energy: -0.866 local terms energy: -727.297004 where: bonds (distance) C4'-P energy: -152.049 bonds (distance) P-C4' energy: -158.951 flat angles C4'-P-C4' energy: -169.019 flat angles P-C4'-P energy: -112.236 tors. eta vs tors. theta energy: -135.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1491.197278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.197278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.197278 (E_RNA) where: Base-Base interactions energy: -824.659 where: short stacking energy: -542.616 Base-Backbone interact. energy: -0.607 local terms energy: -665.931516 where: bonds (distance) C4'-P energy: -147.245 bonds (distance) P-C4' energy: -150.452 flat angles C4'-P-C4' energy: -159.963 flat angles P-C4'-P energy: -99.074 tors. eta vs tors. theta energy: -109.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1396.574236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.574236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.574236 (E_RNA) where: Base-Base interactions energy: -751.512 where: short stacking energy: -491.231 Base-Backbone interact. energy: -4.023 local terms energy: -641.039810 where: bonds (distance) C4'-P energy: -135.783 bonds (distance) P-C4' energy: -150.156 flat angles C4'-P-C4' energy: -152.979 flat angles P-C4'-P energy: -103.266 tors. eta vs tors. theta energy: -98.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1447.481045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.481045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.481045 (E_RNA) where: Base-Base interactions energy: -839.124 where: short stacking energy: -527.115 Base-Backbone interact. energy: -0.104 local terms energy: -608.252826 where: bonds (distance) C4'-P energy: -136.866 bonds (distance) P-C4' energy: -152.289 flat angles C4'-P-C4' energy: -144.686 flat angles P-C4'-P energy: -82.600 tors. eta vs tors. theta energy: -91.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1205.222778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.222778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.222778 (E_RNA) where: Base-Base interactions energy: -639.447 where: short stacking energy: -383.125 Base-Backbone interact. energy: 4.176 local terms energy: -569.951406 where: bonds (distance) C4'-P energy: -135.293 bonds (distance) P-C4' energy: -137.342 flat angles C4'-P-C4' energy: -144.260 flat angles P-C4'-P energy: -75.633 tors. eta vs tors. theta energy: -77.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1201.931061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.931061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.931061 (E_RNA) where: Base-Base interactions energy: -647.313 where: short stacking energy: -369.142 Base-Backbone interact. energy: 0.700 local terms energy: -555.318530 where: bonds (distance) C4'-P energy: -137.760 bonds (distance) P-C4' energy: -147.113 flat angles C4'-P-C4' energy: -145.176 flat angles P-C4'-P energy: -90.320 tors. eta vs tors. theta energy: -34.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1181.472333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.472333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.472333 (E_RNA) where: Base-Base interactions energy: -682.139 where: short stacking energy: -372.297 Base-Backbone interact. energy: -2.051 local terms energy: -497.282525 where: bonds (distance) C4'-P energy: -138.988 bonds (distance) P-C4' energy: -134.384 flat angles C4'-P-C4' energy: -125.337 flat angles P-C4'-P energy: -65.138 tors. eta vs tors. theta energy: -33.437 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: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -944.553368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.553368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.553368 (E_RNA) where: Base-Base interactions energy: -450.370 where: short stacking energy: -290.185 Base-Backbone interact. energy: 2.274 local terms energy: -496.457073 where: bonds (distance) C4'-P energy: -128.146 bonds (distance) P-C4' energy: -124.435 flat angles C4'-P-C4' energy: -142.717 flat angles P-C4'-P energy: -66.270 tors. eta vs tors. theta energy: -34.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -736.483724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.483724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.483724 (E_RNA) where: Base-Base interactions energy: -343.731 where: short stacking energy: -224.319 Base-Backbone interact. energy: 2.018 local terms energy: -394.771077 where: bonds (distance) C4'-P energy: -127.499 bonds (distance) P-C4' energy: -130.453 flat angles C4'-P-C4' energy: -94.409 flat angles P-C4'-P energy: -76.905 tors. eta vs tors. theta energy: 34.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1660.871374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.871374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.871374 (E_RNA) where: Base-Base interactions energy: -905.803 where: short stacking energy: -675.809 Base-Backbone interact. energy: -1.103 local terms energy: -753.964797 where: bonds (distance) C4'-P energy: -157.857 bonds (distance) P-C4' energy: -162.115 flat angles C4'-P-C4' energy: -166.401 flat angles P-C4'-P energy: -108.597 tors. eta vs tors. theta energy: -158.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1848.430730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.430730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.430730 (E_RNA) where: Base-Base interactions energy: -1142.705 where: short stacking energy: -653.254 Base-Backbone interact. energy: -1.720 local terms energy: -704.006397 where: bonds (distance) C4'-P energy: -146.242 bonds (distance) P-C4' energy: -156.656 flat angles C4'-P-C4' energy: -163.769 flat angles P-C4'-P energy: -103.905 tors. eta vs tors. theta energy: -133.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1572.228429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.228429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.228429 (E_RNA) where: Base-Base interactions energy: -885.519 where: short stacking energy: -575.134 Base-Backbone interact. energy: -0.970 local terms energy: -685.739503 where: bonds (distance) C4'-P energy: -150.653 bonds (distance) P-C4' energy: -159.279 flat angles C4'-P-C4' energy: -155.984 flat angles P-C4'-P energy: -101.622 tors. eta vs tors. theta energy: -118.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1653.863604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.863604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.863604 (E_RNA) where: Base-Base interactions energy: -994.240 where: short stacking energy: -547.766 Base-Backbone interact. energy: -1.592 local terms energy: -658.031146 where: bonds (distance) C4'-P energy: -142.435 bonds (distance) P-C4' energy: -137.369 flat angles C4'-P-C4' energy: -145.985 flat angles P-C4'-P energy: -107.389 tors. eta vs tors. theta energy: -124.853 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: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1382.493727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.493727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.493727 (E_RNA) where: Base-Base interactions energy: -749.458 where: short stacking energy: -477.678 Base-Backbone interact. energy: 1.949 local terms energy: -634.983830 where: bonds (distance) C4'-P energy: -116.593 bonds (distance) P-C4' energy: -154.888 flat angles C4'-P-C4' energy: -149.336 flat angles P-C4'-P energy: -104.584 tors. eta vs tors. theta energy: -109.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1278.510146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.510146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.510146 (E_RNA) where: Base-Base interactions energy: -688.753 where: short stacking energy: -466.287 Base-Backbone interact. energy: -2.515 local terms energy: -587.241961 where: bonds (distance) C4'-P energy: -130.454 bonds (distance) P-C4' energy: -136.530 flat angles C4'-P-C4' energy: -155.368 flat angles P-C4'-P energy: -80.457 tors. eta vs tors. theta energy: -84.434 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: 7, replica: 6 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1245.222925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.222925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.222925 (E_RNA) where: Base-Base interactions energy: -707.838 where: short stacking energy: -389.741 Base-Backbone interact. energy: -0.920 local terms energy: -536.465267 where: bonds (distance) C4'-P energy: -131.451 bonds (distance) P-C4' energy: -125.289 flat angles C4'-P-C4' energy: -140.209 flat angles P-C4'-P energy: -87.097 tors. eta vs tors. theta energy: -52.419 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: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1207.009397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.009397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.009397 (E_RNA) where: Base-Base interactions energy: -708.038 where: short stacking energy: -377.223 Base-Backbone interact. energy: -0.813 local terms energy: -498.158909 where: bonds (distance) C4'-P energy: -112.560 bonds (distance) P-C4' energy: -140.991 flat angles C4'-P-C4' energy: -126.833 flat angles P-C4'-P energy: -77.894 tors. eta vs tors. theta energy: -39.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -1022.790556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.790556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.790556 (E_RNA) where: Base-Base interactions energy: -577.850 where: short stacking energy: -343.534 Base-Backbone interact. energy: 0.894 local terms energy: -445.834769 where: bonds (distance) C4'-P energy: -109.719 bonds (distance) P-C4' energy: -123.345 flat angles C4'-P-C4' energy: -122.881 flat angles P-C4'-P energy: -50.367 tors. eta vs tors. theta energy: -39.524 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: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -686.688780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.688780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.688780 (E_RNA) where: Base-Base interactions energy: -271.704 where: short stacking energy: -211.881 Base-Backbone interact. energy: -1.434 local terms energy: -413.550474 where: bonds (distance) C4'-P energy: -129.817 bonds (distance) P-C4' energy: -134.888 flat angles C4'-P-C4' energy: -85.620 flat angles P-C4'-P energy: -70.169 tors. eta vs tors. theta energy: 6.943 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: 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: 10 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1771.559997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.559997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.559997 (E_RNA) where: Base-Base interactions energy: -1058.321 where: short stacking energy: -645.195 Base-Backbone interact. energy: -1.858 local terms energy: -711.381393 where: bonds (distance) C4'-P energy: -146.769 bonds (distance) P-C4' energy: -148.048 flat angles C4'-P-C4' energy: -161.298 flat angles P-C4'-P energy: -100.947 tors. eta vs tors. theta energy: -154.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1508.661933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.661933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.661933 (E_RNA) where: Base-Base interactions energy: -867.496 where: short stacking energy: -492.998 Base-Backbone interact. energy: -1.541 local terms energy: -639.624768 where: bonds (distance) C4'-P energy: -144.540 bonds (distance) P-C4' energy: -167.184 flat angles C4'-P-C4' energy: -145.093 flat angles P-C4'-P energy: -92.717 tors. eta vs tors. theta energy: -90.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1404.214029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.214029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.214029 (E_RNA) where: Base-Base interactions energy: -792.901 where: short stacking energy: -499.093 Base-Backbone interact. energy: -2.235 local terms energy: -609.077863 where: bonds (distance) C4'-P energy: -155.801 bonds (distance) P-C4' energy: -150.922 flat angles C4'-P-C4' energy: -139.839 flat angles P-C4'-P energy: -74.024 tors. eta vs tors. theta energy: -88.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1266.060401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.060401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.060401 (E_RNA) where: Base-Base interactions energy: -662.832 where: short stacking energy: -416.597 Base-Backbone interact. energy: -0.937 local terms energy: -602.290701 where: bonds (distance) C4'-P energy: -127.842 bonds (distance) P-C4' energy: -154.430 flat angles C4'-P-C4' energy: -142.371 flat angles P-C4'-P energy: -90.242 tors. eta vs tors. theta energy: -87.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1280.260437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.260437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.260437 (E_RNA) where: Base-Base interactions energy: -743.447 where: short stacking energy: -410.625 Base-Backbone interact. energy: -1.251 local terms energy: -535.562335 where: bonds (distance) C4'-P energy: -127.372 bonds (distance) P-C4' energy: -137.395 flat angles C4'-P-C4' energy: -118.360 flat angles P-C4'-P energy: -77.337 tors. eta vs tors. theta energy: -75.099 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: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1214.002992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.002992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.002992 (E_RNA) where: Base-Base interactions energy: -722.385 where: short stacking energy: -369.181 Base-Backbone interact. energy: 2.510 local terms energy: -494.127991 where: bonds (distance) C4'-P energy: -140.793 bonds (distance) P-C4' energy: -139.703 flat angles C4'-P-C4' energy: -107.178 flat angles P-C4'-P energy: -79.878 tors. eta vs tors. theta energy: -26.576 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: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1076.901188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.901188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.901188 (E_RNA) where: Base-Base interactions energy: -626.706 where: short stacking energy: -371.097 Base-Backbone interact. energy: -2.259 local terms energy: -447.936558 where: bonds (distance) C4'-P energy: -119.970 bonds (distance) P-C4' energy: -133.060 flat angles C4'-P-C4' energy: -112.255 flat angles P-C4'-P energy: -55.506 tors. eta vs tors. theta energy: -27.145 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: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -657.687613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.687613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.687613 (E_RNA) where: Base-Base interactions energy: -215.680 where: short stacking energy: -184.963 Base-Backbone interact. energy: 4.703 local terms energy: -446.710296 where: bonds (distance) C4'-P energy: -120.353 bonds (distance) P-C4' energy: -156.008 flat angles C4'-P-C4' energy: -106.569 flat angles P-C4'-P energy: -82.129 tors. eta vs tors. theta energy: 18.349 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: 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: 10 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1925.363904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.363904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.363904 (E_RNA) where: Base-Base interactions energy: -1191.883 where: short stacking energy: -679.465 Base-Backbone interact. energy: -1.383 local terms energy: -732.098538 where: bonds (distance) C4'-P energy: -140.909 bonds (distance) P-C4' energy: -163.765 flat angles C4'-P-C4' energy: -159.527 flat angles P-C4'-P energy: -118.003 tors. eta vs tors. theta energy: -149.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1631.589619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.589619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.589619 (E_RNA) where: Base-Base interactions energy: -910.980 where: short stacking energy: -648.975 Base-Backbone interact. energy: -1.287 local terms energy: -719.322425 where: bonds (distance) C4'-P energy: -142.279 bonds (distance) P-C4' energy: -152.740 flat angles C4'-P-C4' energy: -158.018 flat angles P-C4'-P energy: -120.075 tors. eta vs tors. theta energy: -146.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1547.340490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.340490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.340490 (E_RNA) where: Base-Base interactions energy: -892.822 where: short stacking energy: -511.733 Base-Backbone interact. energy: -3.067 local terms energy: -651.451787 where: bonds (distance) C4'-P energy: -154.917 bonds (distance) P-C4' energy: -141.804 flat angles C4'-P-C4' energy: -148.328 flat angles P-C4'-P energy: -123.928 tors. eta vs tors. theta energy: -82.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1516.632335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.632335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.632335 (E_RNA) where: Base-Base interactions energy: -879.453 where: short stacking energy: -521.747 Base-Backbone interact. energy: -2.077 local terms energy: -635.101924 where: bonds (distance) C4'-P energy: -145.666 bonds (distance) P-C4' energy: -134.615 flat angles C4'-P-C4' energy: -143.091 flat angles P-C4'-P energy: -95.622 tors. eta vs tors. theta energy: -116.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1463.586260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.586260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.586260 (E_RNA) where: Base-Base interactions energy: -844.072 where: short stacking energy: -491.915 Base-Backbone interact. energy: 1.721 local terms energy: -621.235838 where: bonds (distance) C4'-P energy: -138.927 bonds (distance) P-C4' energy: -153.896 flat angles C4'-P-C4' energy: -145.718 flat angles P-C4'-P energy: -94.006 tors. eta vs tors. theta energy: -88.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1228.012127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.012127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.012127 (E_RNA) where: Base-Base interactions energy: -698.394 where: short stacking energy: -437.269 Base-Backbone interact. energy: 2.994 local terms energy: -532.612697 where: bonds (distance) C4'-P energy: -136.286 bonds (distance) P-C4' energy: -134.338 flat angles C4'-P-C4' energy: -129.132 flat angles P-C4'-P energy: -69.162 tors. eta vs tors. theta energy: -63.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1330.026077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.026077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.026077 (E_RNA) where: Base-Base interactions energy: -796.942 where: short stacking energy: -375.382 Base-Backbone interact. energy: -2.861 local terms energy: -530.222655 where: bonds (distance) C4'-P energy: -122.909 bonds (distance) P-C4' energy: -160.704 flat angles C4'-P-C4' energy: -116.461 flat angles P-C4'-P energy: -84.925 tors. eta vs tors. theta energy: -45.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1128.172265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.172265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.172265 (E_RNA) where: Base-Base interactions energy: -640.887 where: short stacking energy: -324.378 Base-Backbone interact. energy: 0.163 local terms energy: -487.448122 where: bonds (distance) C4'-P energy: -143.988 bonds (distance) P-C4' energy: -152.460 flat angles C4'-P-C4' energy: -112.805 flat angles P-C4'-P energy: -61.638 tors. eta vs tors. theta energy: -16.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -705.301096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.301096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.301096 (E_RNA) where: Base-Base interactions energy: -311.146 where: short stacking energy: -232.450 Base-Backbone interact. energy: -0.286 local terms energy: -393.869181 where: bonds (distance) C4'-P energy: -126.472 bonds (distance) P-C4' energy: -115.196 flat angles C4'-P-C4' energy: -115.066 flat angles P-C4'-P energy: -64.394 tors. eta vs tors. theta energy: 27.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2007.850423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.850423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.850423 (E_RNA) where: Base-Base interactions energy: -1207.604 where: short stacking energy: -708.334 Base-Backbone interact. energy: -0.228 local terms energy: -800.017891 where: bonds (distance) C4'-P energy: -170.580 bonds (distance) P-C4' energy: -168.521 flat angles C4'-P-C4' energy: -173.424 flat angles P-C4'-P energy: -99.814 tors. eta vs tors. theta energy: -187.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1930.834818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.834818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.834818 (E_RNA) where: Base-Base interactions energy: -1205.853 where: short stacking energy: -668.067 Base-Backbone interact. energy: -2.727 local terms energy: -722.254556 where: bonds (distance) C4'-P energy: -153.292 bonds (distance) P-C4' energy: -154.661 flat angles C4'-P-C4' energy: -158.998 flat angles P-C4'-P energy: -100.713 tors. eta vs tors. theta energy: -154.591 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: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1480.426509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.426509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.426509 (E_RNA) where: Base-Base interactions energy: -828.254 where: short stacking energy: -552.486 Base-Backbone interact. energy: 0.106 local terms energy: -652.277889 where: bonds (distance) C4'-P energy: -129.319 bonds (distance) P-C4' energy: -171.776 flat angles C4'-P-C4' energy: -140.501 flat angles P-C4'-P energy: -105.157 tors. eta vs tors. theta energy: -105.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1580.614344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.614344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.614344 (E_RNA) where: Base-Base interactions energy: -894.542 where: short stacking energy: -535.865 Base-Backbone interact. energy: 0.334 local terms energy: -686.406466 where: bonds (distance) C4'-P energy: -143.669 bonds (distance) P-C4' energy: -167.835 flat angles C4'-P-C4' energy: -166.798 flat angles P-C4'-P energy: -97.431 tors. eta vs tors. theta energy: -110.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1562.072678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.072678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.072678 (E_RNA) where: Base-Base interactions energy: -949.828 where: short stacking energy: -530.398 Base-Backbone interact. energy: -0.703 local terms energy: -611.541449 where: bonds (distance) C4'-P energy: -131.305 bonds (distance) P-C4' energy: -147.389 flat angles C4'-P-C4' energy: -139.411 flat angles P-C4'-P energy: -87.342 tors. eta vs tors. theta energy: -106.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1531.441708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.441708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.441708 (E_RNA) where: Base-Base interactions energy: -941.029 where: short stacking energy: -526.130 Base-Backbone interact. energy: 3.259 local terms energy: -593.672479 where: bonds (distance) C4'-P energy: -130.103 bonds (distance) P-C4' energy: -141.046 flat angles C4'-P-C4' energy: -154.028 flat angles P-C4'-P energy: -78.959 tors. eta vs tors. theta energy: -89.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1470.207941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.207941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.207941 (E_RNA) where: Base-Base interactions energy: -900.858 where: short stacking energy: -455.733 Base-Backbone interact. energy: -6.482 local terms energy: -562.868139 where: bonds (distance) C4'-P energy: -129.149 bonds (distance) P-C4' energy: -144.418 flat angles C4'-P-C4' energy: -136.347 flat angles P-C4'-P energy: -82.161 tors. eta vs tors. theta energy: -70.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1209.611682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.611682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.611682 (E_RNA) where: Base-Base interactions energy: -660.212 where: short stacking energy: -382.416 Base-Backbone interact. energy: -3.633 local terms energy: -545.767356 where: bonds (distance) C4'-P energy: -148.008 bonds (distance) P-C4' energy: -138.187 flat angles C4'-P-C4' energy: -142.148 flat angles P-C4'-P energy: -66.640 tors. eta vs tors. theta energy: -50.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1207.859931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.859931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.859931 (E_RNA) where: Base-Base interactions energy: -708.829 where: short stacking energy: -397.314 Base-Backbone interact. energy: -2.598 local terms energy: -496.432932 where: bonds (distance) C4'-P energy: -135.859 bonds (distance) P-C4' energy: -134.288 flat angles C4'-P-C4' energy: -125.687 flat angles P-C4'-P energy: -60.300 tors. eta vs tors. theta energy: -40.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -712.281004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.281004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.281004 (E_RNA) where: Base-Base interactions energy: -321.122 where: short stacking energy: -209.058 Base-Backbone interact. energy: 2.799 local terms energy: -393.957936 where: bonds (distance) C4'-P energy: -104.856 bonds (distance) P-C4' energy: -125.759 flat angles C4'-P-C4' energy: -102.504 flat angles P-C4'-P energy: -79.150 tors. eta vs tors. theta energy: 18.311 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: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2034.192033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.192033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.192033 (E_RNA) where: Base-Base interactions energy: -1250.355 where: short stacking energy: -700.294 Base-Backbone interact. energy: -2.199 local terms energy: -781.638080 where: bonds (distance) C4'-P energy: -154.831 bonds (distance) P-C4' energy: -158.476 flat angles C4'-P-C4' energy: -179.473 flat angles P-C4'-P energy: -107.837 tors. eta vs tors. theta energy: -181.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1968.634693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.634693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.634693 (E_RNA) where: Base-Base interactions energy: -1190.283 where: short stacking energy: -681.098 Base-Backbone interact. energy: -1.803 local terms energy: -776.549070 where: bonds (distance) C4'-P energy: -150.487 bonds (distance) P-C4' energy: -170.071 flat angles C4'-P-C4' energy: -183.376 flat angles P-C4'-P energy: -119.486 tors. eta vs tors. theta energy: -153.129 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: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1572.215432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.215432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.215432 (E_RNA) where: Base-Base interactions energy: -880.321 where: short stacking energy: -585.330 Base-Backbone interact. energy: 5.685 local terms energy: -697.579974 where: bonds (distance) C4'-P energy: -147.579 bonds (distance) P-C4' energy: -157.900 flat angles C4'-P-C4' energy: -166.558 flat angles P-C4'-P energy: -100.663 tors. eta vs tors. theta energy: -124.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1608.719931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.719931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.719931 (E_RNA) where: Base-Base interactions energy: -957.243 where: short stacking energy: -567.825 Base-Backbone interact. energy: 0.385 local terms energy: -651.862661 where: bonds (distance) C4'-P energy: -133.466 bonds (distance) P-C4' energy: -139.352 flat angles C4'-P-C4' energy: -163.589 flat angles P-C4'-P energy: -89.517 tors. eta vs tors. theta energy: -125.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1560.678715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.678715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.678715 (E_RNA) where: Base-Base interactions energy: -946.558 where: short stacking energy: -510.130 Base-Backbone interact. energy: 1.616 local terms energy: -615.735969 where: bonds (distance) C4'-P energy: -139.508 bonds (distance) P-C4' energy: -143.677 flat angles C4'-P-C4' energy: -149.834 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -94.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1593.986907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.986907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.986907 (E_RNA) where: Base-Base interactions energy: -1028.580 where: short stacking energy: -513.075 Base-Backbone interact. energy: 1.066 local terms energy: -566.473186 where: bonds (distance) C4'-P energy: -112.158 bonds (distance) P-C4' energy: -123.912 flat angles C4'-P-C4' energy: -153.184 flat angles P-C4'-P energy: -80.603 tors. eta vs tors. theta energy: -96.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1391.797174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.797174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.797174 (E_RNA) where: Base-Base interactions energy: -856.185 where: short stacking energy: -447.376 Base-Backbone interact. energy: -2.794 local terms energy: -532.817252 where: bonds (distance) C4'-P energy: -135.766 bonds (distance) P-C4' energy: -121.049 flat angles C4'-P-C4' energy: -144.848 flat angles P-C4'-P energy: -88.841 tors. eta vs tors. theta energy: -42.313 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: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1274.148811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.148811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.148811 (E_RNA) where: Base-Base interactions energy: -729.578 where: short stacking energy: -399.627 Base-Backbone interact. energy: 2.384 local terms energy: -546.953973 where: bonds (distance) C4'-P energy: -121.220 bonds (distance) P-C4' energy: -142.154 flat angles C4'-P-C4' energy: -132.906 flat angles P-C4'-P energy: -93.260 tors. eta vs tors. theta energy: -57.414 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: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1300.170536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.170536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.170536 (E_RNA) where: Base-Base interactions energy: -765.915 where: short stacking energy: -413.538 Base-Backbone interact. energy: -2.914 local terms energy: -531.341724 where: bonds (distance) C4'-P energy: -124.533 bonds (distance) P-C4' energy: -129.271 flat angles C4'-P-C4' energy: -126.157 flat angles P-C4'-P energy: -71.592 tors. eta vs tors. theta energy: -79.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -787.682533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.682533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.682533 (E_RNA) where: Base-Base interactions energy: -396.838 where: short stacking energy: -252.917 Base-Backbone interact. energy: 5.900 local terms energy: -396.744619 where: bonds (distance) C4'-P energy: -127.486 bonds (distance) P-C4' energy: -102.124 flat angles C4'-P-C4' energy: -119.089 flat angles P-C4'-P energy: -51.158 tors. eta vs tors. theta energy: 3.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2075.659907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.659907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.659907 (E_RNA) where: Base-Base interactions energy: -1284.858 where: short stacking energy: -724.477 Base-Backbone interact. energy: -2.710 local terms energy: -788.091506 where: bonds (distance) C4'-P energy: -171.284 bonds (distance) P-C4' energy: -169.829 flat angles C4'-P-C4' energy: -171.996 flat angles P-C4'-P energy: -88.093 tors. eta vs tors. theta energy: -186.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2025.440687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.440687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.440687 (E_RNA) where: Base-Base interactions energy: -1237.130 where: short stacking energy: -710.940 Base-Backbone interact. energy: -2.131 local terms energy: -786.179691 where: bonds (distance) C4'-P energy: -148.619 bonds (distance) P-C4' energy: -169.074 flat angles C4'-P-C4' energy: -169.136 flat angles P-C4'-P energy: -126.988 tors. eta vs tors. theta energy: -172.363 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: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1715.322403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.322403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.322403 (E_RNA) where: Base-Base interactions energy: -1031.698 where: short stacking energy: -590.758 Base-Backbone interact. energy: 1.610 local terms energy: -685.234172 where: bonds (distance) C4'-P energy: -154.424 bonds (distance) P-C4' energy: -159.901 flat angles C4'-P-C4' energy: -156.983 flat angles P-C4'-P energy: -95.125 tors. eta vs tors. theta energy: -118.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1577.813198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.813198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.813198 (E_RNA) where: Base-Base interactions energy: -886.218 where: short stacking energy: -504.017 Base-Backbone interact. energy: 2.085 local terms energy: -693.680275 where: bonds (distance) C4'-P energy: -163.256 bonds (distance) P-C4' energy: -160.531 flat angles C4'-P-C4' energy: -168.284 flat angles P-C4'-P energy: -100.106 tors. eta vs tors. theta energy: -101.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1802.893505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.893505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.893505 (E_RNA) where: Base-Base interactions energy: -1143.090 where: short stacking energy: -569.493 Base-Backbone interact. energy: -1.363 local terms energy: -658.440311 where: bonds (distance) C4'-P energy: -140.652 bonds (distance) P-C4' energy: -156.702 flat angles C4'-P-C4' energy: -151.018 flat angles P-C4'-P energy: -87.862 tors. eta vs tors. theta energy: -122.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1513.995530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.995530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.995530 (E_RNA) where: Base-Base interactions energy: -968.473 where: short stacking energy: -486.696 Base-Backbone interact. energy: 2.407 local terms energy: -547.929194 where: bonds (distance) C4'-P energy: -130.276 bonds (distance) P-C4' energy: -130.029 flat angles C4'-P-C4' energy: -137.023 flat angles P-C4'-P energy: -78.795 tors. eta vs tors. theta energy: -71.806 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: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1456.946088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.946088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.946088 (E_RNA) where: Base-Base interactions energy: -873.402 where: short stacking energy: -453.148 Base-Backbone interact. energy: -0.015 local terms energy: -583.528643 where: bonds (distance) C4'-P energy: -128.021 bonds (distance) P-C4' energy: -147.525 flat angles C4'-P-C4' energy: -143.047 flat angles P-C4'-P energy: -89.976 tors. eta vs tors. theta energy: -74.960 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: 4 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1165.580394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.580394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.580394 (E_RNA) where: Base-Base interactions energy: -679.075 where: short stacking energy: -369.857 Base-Backbone interact. energy: -3.508 local terms energy: -482.997362 where: bonds (distance) C4'-P energy: -122.194 bonds (distance) P-C4' energy: -141.387 flat angles C4'-P-C4' energy: -107.136 flat angles P-C4'-P energy: -74.552 tors. eta vs tors. theta energy: -37.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1356.116685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.116685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.116685 (E_RNA) where: Base-Base interactions energy: -823.675 where: short stacking energy: -441.210 Base-Backbone interact. energy: 1.915 local terms energy: -534.356836 where: bonds (distance) C4'-P energy: -120.400 bonds (distance) P-C4' energy: -107.798 flat angles C4'-P-C4' energy: -137.326 flat angles P-C4'-P energy: -86.598 tors. eta vs tors. theta energy: -82.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -805.149955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.149955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.149955 (E_RNA) where: Base-Base interactions energy: -408.983 where: short stacking energy: -267.129 Base-Backbone interact. energy: 9.434 local terms energy: -405.601550 where: bonds (distance) C4'-P energy: -124.343 bonds (distance) P-C4' energy: -126.923 flat angles C4'-P-C4' energy: -97.297 flat angles P-C4'-P energy: -60.423 tors. eta vs tors. theta energy: 3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2085.666627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.666627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.666627 (E_RNA) where: Base-Base interactions energy: -1287.057 where: short stacking energy: -714.796 Base-Backbone interact. energy: 0.435 local terms energy: -799.043873 where: bonds (distance) C4'-P energy: -151.133 bonds (distance) P-C4' energy: -161.921 flat angles C4'-P-C4' energy: -186.443 flat angles P-C4'-P energy: -127.534 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: 2, replica: 10 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2054.166286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.166286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.166286 (E_RNA) where: Base-Base interactions energy: -1296.674 where: short stacking energy: -734.647 Base-Backbone interact. energy: -2.480 local terms energy: -755.012400 where: bonds (distance) C4'-P energy: -133.850 bonds (distance) P-C4' energy: -163.718 flat angles C4'-P-C4' energy: -172.957 flat angles P-C4'-P energy: -116.019 tors. eta vs tors. theta energy: -168.468 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: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1760.752831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.752831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.752831 (E_RNA) where: Base-Base interactions energy: -1046.141 where: short stacking energy: -585.818 Base-Backbone interact. energy: -1.963 local terms energy: -712.648814 where: bonds (distance) C4'-P energy: -164.159 bonds (distance) P-C4' energy: -159.221 flat angles C4'-P-C4' energy: -150.328 flat angles P-C4'-P energy: -110.622 tors. eta vs tors. theta energy: -128.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1940.625396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.625396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.625396 (E_RNA) where: Base-Base interactions energy: -1259.060 where: short stacking energy: -607.066 Base-Backbone interact. energy: -2.372 local terms energy: -679.192855 where: bonds (distance) C4'-P energy: -146.918 bonds (distance) P-C4' energy: -144.751 flat angles C4'-P-C4' energy: -154.501 flat angles P-C4'-P energy: -105.336 tors. eta vs tors. theta energy: -127.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1554.867324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.867324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.867324 (E_RNA) where: Base-Base interactions energy: -931.460 where: short stacking energy: -536.159 Base-Backbone interact. energy: -1.459 local terms energy: -621.948452 where: bonds (distance) C4'-P energy: -132.383 bonds (distance) P-C4' energy: -156.511 flat angles C4'-P-C4' energy: -162.037 flat angles P-C4'-P energy: -66.099 tors. eta vs tors. theta energy: -104.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1612.079655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.079655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.079655 (E_RNA) where: Base-Base interactions energy: -995.134 where: short stacking energy: -534.695 Base-Backbone interact. energy: 0.587 local terms energy: -617.532307 where: bonds (distance) C4'-P energy: -116.680 bonds (distance) P-C4' energy: -130.918 flat angles C4'-P-C4' energy: -142.731 flat angles P-C4'-P energy: -97.353 tors. eta vs tors. theta energy: -129.851 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: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1455.282699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.282699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.282699 (E_RNA) where: Base-Base interactions energy: -879.660 where: short stacking energy: -459.352 Base-Backbone interact. energy: 3.469 local terms energy: -579.091474 where: bonds (distance) C4'-P energy: -119.220 bonds (distance) P-C4' energy: -142.511 flat angles C4'-P-C4' energy: -139.810 flat angles P-C4'-P energy: -84.262 tors. eta vs tors. theta energy: -93.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1369.721032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.721032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.721032 (E_RNA) where: Base-Base interactions energy: -832.439 where: short stacking energy: -434.006 Base-Backbone interact. energy: 0.643 local terms energy: -537.925420 where: bonds (distance) C4'-P energy: -125.041 bonds (distance) P-C4' energy: -126.978 flat angles C4'-P-C4' energy: -142.021 flat angles P-C4'-P energy: -81.468 tors. eta vs tors. theta energy: -62.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1152.807454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.807454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.807454 (E_RNA) where: Base-Base interactions energy: -652.720 where: short stacking energy: -333.762 Base-Backbone interact. energy: 1.989 local terms energy: -502.076138 where: bonds (distance) C4'-P energy: -130.885 bonds (distance) P-C4' energy: -135.841 flat angles C4'-P-C4' energy: -136.784 flat angles P-C4'-P energy: -71.265 tors. eta vs tors. theta energy: -27.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -741.568362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.568362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.568362 (E_RNA) where: Base-Base interactions energy: -338.665 where: short stacking energy: -243.749 Base-Backbone interact. energy: 5.190 local terms energy: -408.093043 where: bonds (distance) C4'-P energy: -108.669 bonds (distance) P-C4' energy: -131.612 flat angles C4'-P-C4' energy: -106.726 flat angles P-C4'-P energy: -66.788 tors. eta vs tors. theta energy: 5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2161.539081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.539081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.539081 (E_RNA) where: Base-Base interactions energy: -1371.161 where: short stacking energy: -759.576 Base-Backbone interact. energy: -1.736 local terms energy: -788.642578 where: bonds (distance) C4'-P energy: -170.517 bonds (distance) P-C4' energy: -154.081 flat angles C4'-P-C4' energy: -177.093 flat angles P-C4'-P energy: -101.480 tors. eta vs tors. theta energy: -185.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2017.742053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.742053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.742053 (E_RNA) where: Base-Base interactions energy: -1247.258 where: short stacking energy: -675.547 Base-Backbone interact. energy: -1.638 local terms energy: -768.846243 where: bonds (distance) C4'-P energy: -149.414 bonds (distance) P-C4' energy: -175.814 flat angles C4'-P-C4' energy: -164.371 flat angles P-C4'-P energy: -111.898 tors. eta vs tors. theta energy: -167.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -2102.634232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.634232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.634232 (E_RNA) where: Base-Base interactions energy: -1388.524 where: short stacking energy: -696.855 Base-Backbone interact. energy: 1.448 local terms energy: -715.558342 where: bonds (distance) C4'-P energy: -127.604 bonds (distance) P-C4' energy: -158.742 flat angles C4'-P-C4' energy: -173.952 flat angles P-C4'-P energy: -95.370 tors. eta vs tors. theta energy: -159.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1653.243608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.243608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.243608 (E_RNA) where: Base-Base interactions energy: -1026.723 where: short stacking energy: -528.665 Base-Backbone interact. energy: 3.237 local terms energy: -629.757462 where: bonds (distance) C4'-P energy: -139.662 bonds (distance) P-C4' energy: -126.201 flat angles C4'-P-C4' energy: -155.526 flat angles P-C4'-P energy: -101.831 tors. eta vs tors. theta energy: -106.538 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: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1846.976152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.976152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.976152 (E_RNA) where: Base-Base interactions energy: -1181.464 where: short stacking energy: -607.178 Base-Backbone interact. energy: -4.947 local terms energy: -660.565359 where: bonds (distance) C4'-P energy: -143.044 bonds (distance) P-C4' energy: -146.097 flat angles C4'-P-C4' energy: -153.444 flat angles P-C4'-P energy: -91.838 tors. eta vs tors. theta energy: -126.143 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: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1491.311995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.311995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.311995 (E_RNA) where: Base-Base interactions energy: -886.317 where: short stacking energy: -488.497 Base-Backbone interact. energy: 0.065 local terms energy: -605.059948 where: bonds (distance) C4'-P energy: -134.259 bonds (distance) P-C4' energy: -149.939 flat angles C4'-P-C4' energy: -134.196 flat angles P-C4'-P energy: -94.836 tors. eta vs tors. theta energy: -91.829 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: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1534.882711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.882711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.882711 (E_RNA) where: Base-Base interactions energy: -940.916 where: short stacking energy: -492.523 Base-Backbone interact. energy: -3.450 local terms energy: -590.517373 where: bonds (distance) C4'-P energy: -122.582 bonds (distance) P-C4' energy: -143.559 flat angles C4'-P-C4' energy: -135.815 flat angles P-C4'-P energy: -85.563 tors. eta vs tors. theta energy: -102.999 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: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1356.477028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.477028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.477028 (E_RNA) where: Base-Base interactions energy: -785.765 where: short stacking energy: -434.001 Base-Backbone interact. energy: 3.160 local terms energy: -573.871292 where: bonds (distance) C4'-P energy: -132.876 bonds (distance) P-C4' energy: -151.105 flat angles C4'-P-C4' energy: -117.359 flat angles P-C4'-P energy: -107.049 tors. eta vs tors. theta energy: -65.481 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: 4 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1140.258355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.258355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.258355 (E_RNA) where: Base-Base interactions energy: -669.456 where: short stacking energy: -341.904 Base-Backbone interact. energy: 0.547 local terms energy: -471.349876 where: bonds (distance) C4'-P energy: -113.456 bonds (distance) P-C4' energy: -142.405 flat angles C4'-P-C4' energy: -115.079 flat angles P-C4'-P energy: -82.819 tors. eta vs tors. theta energy: -17.590 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: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -809.400064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.400064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.400064 (E_RNA) where: Base-Base interactions energy: -361.843 where: short stacking energy: -245.748 Base-Backbone interact. energy: 3.379 local terms energy: -450.935530 where: bonds (distance) C4'-P energy: -128.651 bonds (distance) P-C4' energy: -128.238 flat angles C4'-P-C4' energy: -108.760 flat angles P-C4'-P energy: -79.769 tors. eta vs tors. theta energy: -5.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2207.243356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.243356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.243356 (E_RNA) where: Base-Base interactions energy: -1400.928 where: short stacking energy: -773.135 Base-Backbone interact. energy: -1.862 local terms energy: -804.453439 where: bonds (distance) C4'-P energy: -161.997 bonds (distance) P-C4' energy: -176.779 flat angles C4'-P-C4' energy: -171.510 flat angles P-C4'-P energy: -107.838 tors. eta vs tors. theta energy: -186.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2283.474901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.474901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.474901 (E_RNA) where: Base-Base interactions energy: -1511.196 where: short stacking energy: -706.237 Base-Backbone interact. energy: 0.779 local terms energy: -773.057509 where: bonds (distance) C4'-P energy: -160.331 bonds (distance) P-C4' energy: -158.795 flat angles C4'-P-C4' energy: -170.884 flat angles P-C4'-P energy: -112.369 tors. eta vs tors. theta energy: -170.678 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: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1912.485532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.485532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.485532 (E_RNA) where: Base-Base interactions energy: -1162.110 where: short stacking energy: -669.193 Base-Backbone interact. energy: -2.363 local terms energy: -748.012637 where: bonds (distance) C4'-P energy: -148.065 bonds (distance) P-C4' energy: -156.360 flat angles C4'-P-C4' energy: -180.733 flat angles P-C4'-P energy: -97.459 tors. eta vs tors. theta energy: -165.395 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: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1960.417939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.417939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.417939 (E_RNA) where: Base-Base interactions energy: -1287.307 where: short stacking energy: -617.021 Base-Backbone interact. energy: 1.009 local terms energy: -674.119435 where: bonds (distance) C4'-P energy: -147.276 bonds (distance) P-C4' energy: -150.506 flat angles C4'-P-C4' energy: -140.079 flat angles P-C4'-P energy: -102.349 tors. eta vs tors. theta energy: -133.909 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: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1693.819691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.819691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.819691 (E_RNA) where: Base-Base interactions energy: -1092.270 where: short stacking energy: -559.683 Base-Backbone interact. energy: 0.180 local terms energy: -601.730275 where: bonds (distance) C4'-P energy: -125.999 bonds (distance) P-C4' energy: -134.770 flat angles C4'-P-C4' energy: -133.992 flat angles P-C4'-P energy: -92.953 tors. eta vs tors. theta energy: -114.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1668.363456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.363456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.363456 (E_RNA) where: Base-Base interactions energy: -1005.811 where: short stacking energy: -525.674 Base-Backbone interact. energy: -4.499 local terms energy: -658.053142 where: bonds (distance) C4'-P energy: -152.351 bonds (distance) P-C4' energy: -135.677 flat angles C4'-P-C4' energy: -131.129 flat angles P-C4'-P energy: -112.456 tors. eta vs tors. theta energy: -126.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1407.059241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.059241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.059241 (E_RNA) where: Base-Base interactions energy: -854.653 where: short stacking energy: -445.248 Base-Backbone interact. energy: -3.449 local terms energy: -548.957367 where: bonds (distance) C4'-P energy: -123.539 bonds (distance) P-C4' energy: -126.953 flat angles C4'-P-C4' energy: -140.591 flat angles P-C4'-P energy: -74.352 tors. eta vs tors. theta energy: -83.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1359.873475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.873475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.873475 (E_RNA) where: Base-Base interactions energy: -814.134 where: short stacking energy: -422.561 Base-Backbone interact. energy: -3.581 local terms energy: -542.158493 where: bonds (distance) C4'-P energy: -119.511 bonds (distance) P-C4' energy: -138.674 flat angles C4'-P-C4' energy: -120.694 flat angles P-C4'-P energy: -88.054 tors. eta vs tors. theta energy: -75.225 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: 4 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1165.007249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.007249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.007249 (E_RNA) where: Base-Base interactions energy: -655.187 where: short stacking energy: -358.205 Base-Backbone interact. energy: -2.671 local terms energy: -507.149525 where: bonds (distance) C4'-P energy: -137.449 bonds (distance) P-C4' energy: -140.217 flat angles C4'-P-C4' energy: -109.701 flat angles P-C4'-P energy: -58.024 tors. eta vs tors. theta energy: -61.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -827.697219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.697219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.697219 (E_RNA) where: Base-Base interactions energy: -402.357 where: short stacking energy: -260.273 Base-Backbone interact. energy: -2.559 local terms energy: -422.781783 where: bonds (distance) C4'-P energy: -115.609 bonds (distance) P-C4' energy: -132.546 flat angles C4'-P-C4' energy: -129.810 flat angles P-C4'-P energy: -58.603 tors. eta vs tors. theta energy: 13.786 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: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2432.998482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.998482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.998482 (E_RNA) where: Base-Base interactions energy: -1631.635 where: short stacking energy: -771.917 Base-Backbone interact. energy: -2.092 local terms energy: -799.271846 where: bonds (distance) C4'-P energy: -149.601 bonds (distance) P-C4' energy: -169.221 flat angles C4'-P-C4' energy: -171.623 flat angles P-C4'-P energy: -123.774 tors. eta vs tors. theta energy: -185.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2183.326167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.326167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.326167 (E_RNA) where: Base-Base interactions energy: -1386.172 where: short stacking energy: -719.987 Base-Backbone interact. energy: -0.399 local terms energy: -796.754825 where: bonds (distance) C4'-P energy: -160.747 bonds (distance) P-C4' energy: -182.354 flat angles C4'-P-C4' energy: -168.780 flat angles P-C4'-P energy: -101.679 tors. eta vs tors. theta energy: -183.195 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -2071.378610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.378610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.378610 (E_RNA) where: Base-Base interactions energy: -1397.218 where: short stacking energy: -627.596 Base-Backbone interact. energy: -3.623 local terms energy: -670.537755 where: bonds (distance) C4'-P energy: -149.962 bonds (distance) P-C4' energy: -148.843 flat angles C4'-P-C4' energy: -149.645 flat angles P-C4'-P energy: -96.497 tors. eta vs tors. theta energy: -125.591 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: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1807.210100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.210100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.210100 (E_RNA) where: Base-Base interactions energy: -1119.098 where: short stacking energy: -605.698 Base-Backbone interact. energy: -4.317 local terms energy: -683.795083 where: bonds (distance) C4'-P energy: -122.779 bonds (distance) P-C4' energy: -157.274 flat angles C4'-P-C4' energy: -161.382 flat angles P-C4'-P energy: -101.990 tors. eta vs tors. theta energy: -140.370 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: 6 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1809.034153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.034153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.034153 (E_RNA) where: Base-Base interactions energy: -1138.687 where: short stacking energy: -579.381 Base-Backbone interact. energy: 7.981 local terms energy: -678.327829 where: bonds (distance) C4'-P energy: -146.458 bonds (distance) P-C4' energy: -143.312 flat angles C4'-P-C4' energy: -151.475 flat angles P-C4'-P energy: -106.606 tors. eta vs tors. theta energy: -130.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1638.596680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.596680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.596680 (E_RNA) where: Base-Base interactions energy: -1014.650 where: short stacking energy: -529.043 Base-Backbone interact. energy: 0.519 local terms energy: -624.465298 where: bonds (distance) C4'-P energy: -146.731 bonds (distance) P-C4' energy: -129.035 flat angles C4'-P-C4' energy: -153.214 flat angles P-C4'-P energy: -104.109 tors. eta vs tors. theta energy: -91.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1459.858605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.858605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.858605 (E_RNA) where: Base-Base interactions energy: -902.557 where: short stacking energy: -475.276 Base-Backbone interact. energy: -2.681 local terms energy: -554.619665 where: bonds (distance) C4'-P energy: -143.759 bonds (distance) P-C4' energy: -128.048 flat angles C4'-P-C4' energy: -119.853 flat angles P-C4'-P energy: -96.782 tors. eta vs tors. theta energy: -66.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1245.718209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.718209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.718209 (E_RNA) where: Base-Base interactions energy: -701.558 where: short stacking energy: -387.189 Base-Backbone interact. energy: -2.499 local terms energy: -541.660904 where: bonds (distance) C4'-P energy: -143.222 bonds (distance) P-C4' energy: -148.758 flat angles C4'-P-C4' energy: -108.037 flat angles P-C4'-P energy: -86.885 tors. eta vs tors. theta energy: -54.759 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: 4 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1144.681069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.681069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.681069 (E_RNA) where: Base-Base interactions energy: -646.792 where: short stacking energy: -360.878 Base-Backbone interact. energy: 5.144 local terms energy: -503.033442 where: bonds (distance) C4'-P energy: -119.392 bonds (distance) P-C4' energy: -113.495 flat angles C4'-P-C4' energy: -137.105 flat angles P-C4'-P energy: -78.764 tors. eta vs tors. theta energy: -54.277 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: 20 Temperature: 1.350000 Total energy: -785.550730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.550730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.550730 (E_RNA) where: Base-Base interactions energy: -368.115 where: short stacking energy: -229.986 Base-Backbone interact. energy: 1.139 local terms energy: -418.575336 where: bonds (distance) C4'-P energy: -135.399 bonds (distance) P-C4' energy: -127.077 flat angles C4'-P-C4' energy: -108.834 flat angles P-C4'-P energy: -56.550 tors. eta vs tors. theta energy: 9.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2453.592013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.592013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.592013 (E_RNA) where: Base-Base interactions energy: -1642.992 where: short stacking energy: -753.979 Base-Backbone interact. energy: 3.653 local terms energy: -814.253059 where: bonds (distance) C4'-P energy: -173.792 bonds (distance) P-C4' energy: -168.672 flat angles C4'-P-C4' energy: -175.921 flat angles P-C4'-P energy: -111.322 tors. eta vs tors. theta energy: -184.547 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: 2, replica: 10 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2148.491382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.491382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.491382 (E_RNA) where: Base-Base interactions energy: -1400.380 where: short stacking energy: -703.864 Base-Backbone interact. energy: -1.113 local terms energy: -746.998000 where: bonds (distance) C4'-P energy: -143.609 bonds (distance) P-C4' energy: -151.309 flat angles C4'-P-C4' energy: -178.047 flat angles P-C4'-P energy: -110.496 tors. eta vs tors. theta energy: -163.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -2241.614412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.614412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.614412 (E_RNA) where: Base-Base interactions energy: -1510.000 where: short stacking energy: -696.326 Base-Backbone interact. energy: -0.441 local terms energy: -731.173696 where: bonds (distance) C4'-P energy: -143.436 bonds (distance) P-C4' energy: -154.889 flat angles C4'-P-C4' energy: -157.287 flat angles P-C4'-P energy: -103.153 tors. eta vs tors. theta energy: -172.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1979.892115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.892115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.892115 (E_RNA) where: Base-Base interactions energy: -1319.225 where: short stacking energy: -631.458 Base-Backbone interact. energy: 3.515 local terms energy: -664.182563 where: bonds (distance) C4'-P energy: -141.130 bonds (distance) P-C4' energy: -153.176 flat angles C4'-P-C4' energy: -158.421 flat angles P-C4'-P energy: -90.485 tors. eta vs tors. theta energy: -120.970 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: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1750.944440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.944440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.944440 (E_RNA) where: Base-Base interactions energy: -1088.901 where: short stacking energy: -595.294 Base-Backbone interact. energy: 3.227 local terms energy: -665.271040 where: bonds (distance) C4'-P energy: -129.775 bonds (distance) P-C4' energy: -156.232 flat angles C4'-P-C4' energy: -151.070 flat angles P-C4'-P energy: -84.237 tors. eta vs tors. theta energy: -143.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1620.704144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.704144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.704144 (E_RNA) where: Base-Base interactions energy: -1010.190 where: short stacking energy: -513.750 Base-Backbone interact. energy: 0.826 local terms energy: -611.340279 where: bonds (distance) C4'-P energy: -135.986 bonds (distance) P-C4' energy: -142.147 flat angles C4'-P-C4' energy: -149.109 flat angles P-C4'-P energy: -101.465 tors. eta vs tors. theta energy: -82.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1417.282694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.282694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.282694 (E_RNA) where: Base-Base interactions energy: -850.188 where: short stacking energy: -459.694 Base-Backbone interact. energy: 2.577 local terms energy: -569.671407 where: bonds (distance) C4'-P energy: -133.305 bonds (distance) P-C4' energy: -152.112 flat angles C4'-P-C4' energy: -131.761 flat angles P-C4'-P energy: -71.352 tors. eta vs tors. theta energy: -81.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1267.323115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.323115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.323115 (E_RNA) where: Base-Base interactions energy: -762.591 where: short stacking energy: -370.954 Base-Backbone interact. energy: -2.429 local terms energy: -502.303186 where: bonds (distance) C4'-P energy: -140.201 bonds (distance) P-C4' energy: -138.562 flat angles C4'-P-C4' energy: -103.083 flat angles P-C4'-P energy: -72.921 tors. eta vs tors. theta energy: -47.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1099.140716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.140716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.140716 (E_RNA) where: Base-Base interactions energy: -638.105 where: short stacking energy: -326.480 Base-Backbone interact. energy: 0.799 local terms energy: -461.834320 where: bonds (distance) C4'-P energy: -93.569 bonds (distance) P-C4' energy: -132.701 flat angles C4'-P-C4' energy: -124.522 flat angles P-C4'-P energy: -88.578 tors. eta vs tors. theta energy: -22.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -764.827040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.827040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.827040 (E_RNA) where: Base-Base interactions energy: -339.737 where: short stacking energy: -246.366 Base-Backbone interact. energy: -1.924 local terms energy: -423.166287 where: bonds (distance) C4'-P energy: -131.522 bonds (distance) P-C4' energy: -118.557 flat angles C4'-P-C4' energy: -117.920 flat angles P-C4'-P energy: -54.859 tors. eta vs tors. theta energy: -0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2529.520271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.520271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.520271 (E_RNA) where: Base-Base interactions energy: -1724.041 where: short stacking energy: -827.998 Base-Backbone interact. energy: -5.171 local terms energy: -800.308118 where: bonds (distance) C4'-P energy: -154.379 bonds (distance) P-C4' energy: -154.007 flat angles C4'-P-C4' energy: -182.510 flat angles P-C4'-P energy: -117.961 tors. eta vs tors. theta energy: -191.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2181.484939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.484939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.484939 (E_RNA) where: Base-Base interactions energy: -1436.111 where: short stacking energy: -715.735 Base-Backbone interact. energy: -4.491 local terms energy: -740.883553 where: bonds (distance) C4'-P energy: -141.382 bonds (distance) P-C4' energy: -150.702 flat angles C4'-P-C4' energy: -176.651 flat angles P-C4'-P energy: -99.813 tors. eta vs tors. theta energy: -172.337 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: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2267.303067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.303067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.303067 (E_RNA) where: Base-Base interactions energy: -1510.449 where: short stacking energy: -693.983 Base-Backbone interact. energy: -3.415 local terms energy: -753.438678 where: bonds (distance) C4'-P energy: -157.599 bonds (distance) P-C4' energy: -153.817 flat angles C4'-P-C4' energy: -164.439 flat angles P-C4'-P energy: -98.094 tors. eta vs tors. theta energy: -179.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -2062.594169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.594169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.594169 (E_RNA) where: Base-Base interactions energy: -1344.612 where: short stacking energy: -609.777 Base-Backbone interact. energy: -1.809 local terms energy: -716.172730 where: bonds (distance) C4'-P energy: -141.193 bonds (distance) P-C4' energy: -148.094 flat angles C4'-P-C4' energy: -158.467 flat angles P-C4'-P energy: -111.549 tors. eta vs tors. theta energy: -156.870 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: 5, replica: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1770.659762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.659762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.659762 (E_RNA) where: Base-Base interactions energy: -1104.410 where: short stacking energy: -543.502 Base-Backbone interact. energy: -1.216 local terms energy: -665.033414 where: bonds (distance) C4'-P energy: -141.508 bonds (distance) P-C4' energy: -172.202 flat angles C4'-P-C4' energy: -133.683 flat angles P-C4'-P energy: -102.930 tors. eta vs tors. theta energy: -114.710 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: 3 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1600.942017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.942017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.942017 (E_RNA) where: Base-Base interactions energy: -977.277 where: short stacking energy: -497.872 Base-Backbone interact. energy: 0.853 local terms energy: -624.517957 where: bonds (distance) C4'-P energy: -133.873 bonds (distance) P-C4' energy: -160.185 flat angles C4'-P-C4' energy: -147.572 flat angles P-C4'-P energy: -79.974 tors. eta vs tors. theta energy: -102.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1431.366359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.366359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.366359 (E_RNA) where: Base-Base interactions energy: -848.306 where: short stacking energy: -460.778 Base-Backbone interact. energy: 0.791 local terms energy: -583.851159 where: bonds (distance) C4'-P energy: -132.504 bonds (distance) P-C4' energy: -157.706 flat angles C4'-P-C4' energy: -131.310 flat angles P-C4'-P energy: -69.873 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: 8, replica: 4 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1273.088423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.088423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.088423 (E_RNA) where: Base-Base interactions energy: -764.914 where: short stacking energy: -365.487 Base-Backbone interact. energy: -0.240 local terms energy: -507.935026 where: bonds (distance) C4'-P energy: -127.394 bonds (distance) P-C4' energy: -108.285 flat angles C4'-P-C4' energy: -119.101 flat angles P-C4'-P energy: -100.805 tors. eta vs tors. theta energy: -52.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1070.157782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.157782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.157782 (E_RNA) where: Base-Base interactions energy: -592.581 where: short stacking energy: -325.789 Base-Backbone interact. energy: 0.301 local terms energy: -477.878113 where: bonds (distance) C4'-P energy: -120.097 bonds (distance) P-C4' energy: -144.384 flat angles C4'-P-C4' energy: -98.118 flat angles P-C4'-P energy: -79.325 tors. eta vs tors. theta energy: -35.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -786.235798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.235798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.235798 (E_RNA) where: Base-Base interactions energy: -398.378 where: short stacking energy: -266.569 Base-Backbone interact. energy: 5.727 local terms energy: -393.585367 where: bonds (distance) C4'-P energy: -105.572 bonds (distance) P-C4' energy: -136.175 flat angles C4'-P-C4' energy: -95.611 flat angles P-C4'-P energy: -77.313 tors. eta vs tors. theta energy: 21.085 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: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2587.524612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.524612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.524612 (E_RNA) where: Base-Base interactions energy: -1807.799 where: short stacking energy: -819.132 Base-Backbone interact. energy: 0.160 local terms energy: -779.885850 where: bonds (distance) C4'-P energy: -152.100 bonds (distance) P-C4' energy: -154.513 flat angles C4'-P-C4' energy: -169.225 flat angles P-C4'-P energy: -108.249 tors. eta vs tors. theta energy: -195.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2391.988829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.988829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.988829 (E_RNA) where: Base-Base interactions energy: -1624.398 where: short stacking energy: -733.414 Base-Backbone interact. energy: -3.102 local terms energy: -764.488501 where: bonds (distance) C4'-P energy: -143.470 bonds (distance) P-C4' energy: -142.384 flat angles C4'-P-C4' energy: -174.452 flat angles P-C4'-P energy: -121.751 tors. eta vs tors. theta energy: -182.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2128.896717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.896717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.896717 (E_RNA) where: Base-Base interactions energy: -1414.362 where: short stacking energy: -684.375 Base-Backbone interact. energy: 1.716 local terms energy: -716.250614 where: bonds (distance) C4'-P energy: -145.902 bonds (distance) P-C4' energy: -150.961 flat angles C4'-P-C4' energy: -142.987 flat angles P-C4'-P energy: -121.515 tors. eta vs tors. theta energy: -154.886 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: 23 Temperature: 1.050000 Total energy: -2171.550289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.550289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.550289 (E_RNA) where: Base-Base interactions energy: -1426.166 where: short stacking energy: -685.342 Base-Backbone interact. energy: 1.279 local terms energy: -746.662452 where: bonds (distance) C4'-P energy: -149.567 bonds (distance) P-C4' energy: -141.583 flat angles C4'-P-C4' energy: -178.413 flat angles P-C4'-P energy: -107.433 tors. eta vs tors. theta energy: -169.665 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: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1818.634341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.634341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.634341 (E_RNA) where: Base-Base interactions energy: -1174.773 where: short stacking energy: -557.906 Base-Backbone interact. energy: 1.078 local terms energy: -644.939056 where: bonds (distance) C4'-P energy: -141.231 bonds (distance) P-C4' energy: -150.887 flat angles C4'-P-C4' energy: -142.195 flat angles P-C4'-P energy: -86.555 tors. eta vs tors. theta energy: -124.073 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: 23 Temperature: 1.150000 Total energy: -1581.859205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.859205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.859205 (E_RNA) where: Base-Base interactions energy: -964.163 where: short stacking energy: -532.256 Base-Backbone interact. energy: 2.084 local terms energy: -619.780443 where: bonds (distance) C4'-P energy: -130.934 bonds (distance) P-C4' energy: -155.637 flat angles C4'-P-C4' energy: -135.404 flat angles P-C4'-P energy: -87.743 tors. eta vs tors. theta energy: -110.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1442.085597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.085597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.085597 (E_RNA) where: Base-Base interactions energy: -847.425 where: short stacking energy: -453.935 Base-Backbone interact. energy: 1.006 local terms energy: -595.666420 where: bonds (distance) C4'-P energy: -138.260 bonds (distance) P-C4' energy: -121.959 flat angles C4'-P-C4' energy: -166.084 flat angles P-C4'-P energy: -82.599 tors. eta vs tors. theta energy: -86.764 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: 4 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1373.772671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.772671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.772671 (E_RNA) where: Base-Base interactions energy: -828.620 where: short stacking energy: -426.430 Base-Backbone interact. energy: -1.581 local terms energy: -543.571864 where: bonds (distance) C4'-P energy: -137.373 bonds (distance) P-C4' energy: -144.326 flat angles C4'-P-C4' energy: -126.288 flat angles P-C4'-P energy: -65.248 tors. eta vs tors. theta energy: -70.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1016.031449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.031449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.031449 (E_RNA) where: Base-Base interactions energy: -547.985 where: short stacking energy: -290.138 Base-Backbone interact. energy: -2.867 local terms energy: -465.179682 where: bonds (distance) C4'-P energy: -119.888 bonds (distance) P-C4' energy: -138.100 flat angles C4'-P-C4' energy: -110.502 flat angles P-C4'-P energy: -93.344 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -891.376154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.376154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.376154 (E_RNA) where: Base-Base interactions energy: -471.886 where: short stacking energy: -267.305 Base-Backbone interact. energy: 16.510 local terms energy: -436.000258 where: bonds (distance) C4'-P energy: -127.459 bonds (distance) P-C4' energy: -137.780 flat angles C4'-P-C4' energy: -116.980 flat angles P-C4'-P energy: -55.007 tors. eta vs tors. theta energy: 1.226 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: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2576.405285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.405285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.405285 (E_RNA) where: Base-Base interactions energy: -1750.296 where: short stacking energy: -812.772 Base-Backbone interact. energy: -3.903 local terms energy: -822.206061 where: bonds (distance) C4'-P energy: -167.683 bonds (distance) P-C4' energy: -158.355 flat angles C4'-P-C4' energy: -174.136 flat angles P-C4'-P energy: -125.447 tors. eta vs tors. theta energy: -196.585 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: 24 Temperature: 0.950000 Total energy: -2431.616383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.616383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.616383 (E_RNA) where: Base-Base interactions energy: -1615.958 where: short stacking energy: -734.752 Base-Backbone interact. energy: -6.242 local terms energy: -809.417081 where: bonds (distance) C4'-P energy: -152.046 bonds (distance) P-C4' energy: -161.882 flat angles C4'-P-C4' energy: -185.730 flat angles P-C4'-P energy: -120.164 tors. eta vs tors. theta energy: -189.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2225.575317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.575317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.575317 (E_RNA) where: Base-Base interactions energy: -1478.298 where: short stacking energy: -705.575 Base-Backbone interact. energy: 4.823 local terms energy: -752.100280 where: bonds (distance) C4'-P energy: -146.924 bonds (distance) P-C4' energy: -156.287 flat angles C4'-P-C4' energy: -175.533 flat angles P-C4'-P energy: -100.798 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: 4, replica: 10 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -2095.457281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.457281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.457281 (E_RNA) where: Base-Base interactions energy: -1379.049 where: short stacking energy: -678.477 Base-Backbone interact. energy: -1.288 local terms energy: -715.120450 where: bonds (distance) C4'-P energy: -151.197 bonds (distance) P-C4' energy: -150.188 flat angles C4'-P-C4' energy: -157.147 flat angles P-C4'-P energy: -107.219 tors. eta vs tors. theta energy: -149.370 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: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1820.521354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.521354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.521354 (E_RNA) where: Base-Base interactions energy: -1161.794 where: short stacking energy: -601.038 Base-Backbone interact. energy: -3.927 local terms energy: -654.800095 where: bonds (distance) C4'-P energy: -143.278 bonds (distance) P-C4' energy: -144.824 flat angles C4'-P-C4' energy: -148.808 flat angles P-C4'-P energy: -90.274 tors. eta vs tors. theta energy: -127.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1475.041880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.041880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.041880 (E_RNA) where: Base-Base interactions energy: -884.838 where: short stacking energy: -481.849 Base-Backbone interact. energy: -2.332 local terms energy: -587.871629 where: bonds (distance) C4'-P energy: -132.192 bonds (distance) P-C4' energy: -138.278 flat angles C4'-P-C4' energy: -152.167 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -78.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1452.060615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.060615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.060615 (E_RNA) where: Base-Base interactions energy: -874.196 where: short stacking energy: -445.191 Base-Backbone interact. energy: -2.879 local terms energy: -574.986025 where: bonds (distance) C4'-P energy: -130.551 bonds (distance) P-C4' energy: -146.598 flat angles C4'-P-C4' energy: -128.747 flat angles P-C4'-P energy: -90.650 tors. eta vs tors. theta energy: -78.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1405.561902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.561902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.561902 (E_RNA) where: Base-Base interactions energy: -878.630 where: short stacking energy: -431.981 Base-Backbone interact. energy: 10.363 local terms energy: -537.294729 where: bonds (distance) C4'-P energy: -135.286 bonds (distance) P-C4' energy: -132.978 flat angles C4'-P-C4' energy: -116.040 flat angles P-C4'-P energy: -88.696 tors. eta vs tors. theta energy: -64.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1042.156063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.156063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.156063 (E_RNA) where: Base-Base interactions energy: -562.180 where: short stacking energy: -316.642 Base-Backbone interact. energy: -1.305 local terms energy: -478.671510 where: bonds (distance) C4'-P energy: -133.967 bonds (distance) P-C4' energy: -131.839 flat angles C4'-P-C4' energy: -128.390 flat angles P-C4'-P energy: -73.263 tors. eta vs tors. theta energy: -11.212 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: 10, replica: 5 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -964.680142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.680142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.680142 (E_RNA) where: Base-Base interactions energy: -509.528 where: short stacking energy: -279.684 Base-Backbone interact. energy: 0.355 local terms energy: -455.507531 where: bonds (distance) C4'-P energy: -122.331 bonds (distance) P-C4' energy: -138.330 flat angles C4'-P-C4' energy: -115.949 flat angles P-C4'-P energy: -76.390 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2582.402018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.402018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.402018 (E_RNA) where: Base-Base interactions energy: -1789.162 where: short stacking energy: -822.275 Base-Backbone interact. energy: 2.084 local terms energy: -795.323317 where: bonds (distance) C4'-P energy: -141.159 bonds (distance) P-C4' energy: -169.844 flat angles C4'-P-C4' energy: -169.296 flat angles P-C4'-P energy: -110.632 tors. eta vs tors. theta energy: -204.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2420.149489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.149489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.149489 (E_RNA) where: Base-Base interactions energy: -1639.669 where: short stacking energy: -756.562 Base-Backbone interact. energy: -1.205 local terms energy: -779.275376 where: bonds (distance) C4'-P energy: -157.849 bonds (distance) P-C4' energy: -147.542 flat angles C4'-P-C4' energy: -170.089 flat angles P-C4'-P energy: -115.296 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: 3, replica: 6 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2257.414082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.414082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.414082 (E_RNA) where: Base-Base interactions energy: -1530.850 where: short stacking energy: -678.397 Base-Backbone interact. energy: -4.124 local terms energy: -722.440530 where: bonds (distance) C4'-P energy: -151.942 bonds (distance) P-C4' energy: -163.596 flat angles C4'-P-C4' energy: -164.983 flat angles P-C4'-P energy: -103.512 tors. eta vs tors. theta energy: -138.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2121.114752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.114752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.114752 (E_RNA) where: Base-Base interactions energy: -1415.438 where: short stacking energy: -676.357 Base-Backbone interact. energy: -2.736 local terms energy: -702.940187 where: bonds (distance) C4'-P energy: -136.445 bonds (distance) P-C4' energy: -146.058 flat angles C4'-P-C4' energy: -156.098 flat angles P-C4'-P energy: -107.415 tors. eta vs tors. theta energy: -156.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1782.267451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.267451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.267451 (E_RNA) where: Base-Base interactions energy: -1139.488 where: short stacking energy: -554.656 Base-Backbone interact. energy: -1.471 local terms energy: -641.308226 where: bonds (distance) C4'-P energy: -149.700 bonds (distance) P-C4' energy: -127.196 flat angles C4'-P-C4' energy: -150.076 flat angles P-C4'-P energy: -107.969 tors. eta vs tors. theta energy: -106.369 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: 4 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1700.706996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.706996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.706996 (E_RNA) where: Base-Base interactions energy: -1070.802 where: short stacking energy: -503.051 Base-Backbone interact. energy: -1.499 local terms energy: -628.405955 where: bonds (distance) C4'-P energy: -137.639 bonds (distance) P-C4' energy: -147.863 flat angles C4'-P-C4' energy: -143.821 flat angles P-C4'-P energy: -92.138 tors. eta vs tors. theta energy: -106.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1366.435636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.435636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.435636 (E_RNA) where: Base-Base interactions energy: -831.125 where: short stacking energy: -434.745 Base-Backbone interact. energy: 4.739 local terms energy: -540.049811 where: bonds (distance) C4'-P energy: -114.108 bonds (distance) P-C4' energy: -143.865 flat angles C4'-P-C4' energy: -145.015 flat angles P-C4'-P energy: -85.005 tors. eta vs tors. theta energy: -52.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1466.388843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.388843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.388843 (E_RNA) where: Base-Base interactions energy: -892.541 where: short stacking energy: -444.197 Base-Backbone interact. energy: 1.899 local terms energy: -575.747698 where: bonds (distance) C4'-P energy: -140.264 bonds (distance) P-C4' energy: -152.695 flat angles C4'-P-C4' energy: -135.150 flat angles P-C4'-P energy: -71.535 tors. eta vs tors. theta energy: -76.104 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: 25 Temperature: 1.300000 Total energy: -1128.814573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.814573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.814573 (E_RNA) where: Base-Base interactions energy: -629.782 where: short stacking energy: -325.693 Base-Backbone interact. energy: 0.547 local terms energy: -499.579135 where: bonds (distance) C4'-P energy: -118.350 bonds (distance) P-C4' energy: -133.520 flat angles C4'-P-C4' energy: -135.059 flat angles P-C4'-P energy: -76.708 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: 10, replica: 5 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -910.027359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.027359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.027359 (E_RNA) where: Base-Base interactions energy: -495.630 where: short stacking energy: -302.526 Base-Backbone interact. energy: 3.129 local terms energy: -417.526663 where: bonds (distance) C4'-P energy: -122.411 bonds (distance) P-C4' energy: -128.082 flat angles C4'-P-C4' energy: -101.403 flat angles P-C4'-P energy: -55.046 tors. eta vs tors. theta energy: -10.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2564.865261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.865261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.865261 (E_RNA) where: Base-Base interactions energy: -1784.334 where: short stacking energy: -817.037 Base-Backbone interact. energy: -2.045 local terms energy: -778.485923 where: bonds (distance) C4'-P energy: -150.845 bonds (distance) P-C4' energy: -148.964 flat angles C4'-P-C4' energy: -174.106 flat angles P-C4'-P energy: -113.732 tors. eta vs tors. theta energy: -190.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2419.253218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.253218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.253218 (E_RNA) where: Base-Base interactions energy: -1668.769 where: short stacking energy: -751.304 Base-Backbone interact. energy: -2.228 local terms energy: -748.255547 where: bonds (distance) C4'-P energy: -134.807 bonds (distance) P-C4' energy: -146.829 flat angles C4'-P-C4' energy: -173.078 flat angles P-C4'-P energy: -112.186 tors. eta vs tors. theta energy: -181.356 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: 6 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2304.687238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.687238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.687238 (E_RNA) where: Base-Base interactions energy: -1537.300 where: short stacking energy: -719.149 Base-Backbone interact. energy: -0.101 local terms energy: -767.286386 where: bonds (distance) C4'-P energy: -141.950 bonds (distance) P-C4' energy: -162.469 flat angles C4'-P-C4' energy: -164.353 flat angles P-C4'-P energy: -107.045 tors. eta vs tors. theta energy: -191.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -2134.190187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.190187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.190187 (E_RNA) where: Base-Base interactions energy: -1414.490 where: short stacking energy: -676.214 Base-Backbone interact. energy: -2.953 local terms energy: -716.747523 where: bonds (distance) C4'-P energy: -148.646 bonds (distance) P-C4' energy: -153.719 flat angles C4'-P-C4' energy: -167.786 flat angles P-C4'-P energy: -94.150 tors. eta vs tors. theta energy: -152.447 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: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1872.508427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.508427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.508427 (E_RNA) where: Base-Base interactions energy: -1244.175 where: short stacking energy: -589.587 Base-Backbone interact. energy: -1.062 local terms energy: -627.271543 where: bonds (distance) C4'-P energy: -132.168 bonds (distance) P-C4' energy: -144.144 flat angles C4'-P-C4' energy: -137.126 flat angles P-C4'-P energy: -99.058 tors. eta vs tors. theta energy: -114.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1707.014193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.014193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.014193 (E_RNA) where: Base-Base interactions energy: -1100.743 where: short stacking energy: -507.227 Base-Backbone interact. energy: -2.885 local terms energy: -603.386012 where: bonds (distance) C4'-P energy: -147.321 bonds (distance) P-C4' energy: -133.991 flat angles C4'-P-C4' energy: -145.547 flat angles P-C4'-P energy: -78.127 tors. eta vs tors. theta energy: -98.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1586.407284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.407284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.407284 (E_RNA) where: Base-Base interactions energy: -1031.423 where: short stacking energy: -506.131 Base-Backbone interact. energy: 0.302 local terms energy: -555.286468 where: bonds (distance) C4'-P energy: -126.141 bonds (distance) P-C4' energy: -127.804 flat angles C4'-P-C4' energy: -137.895 flat angles P-C4'-P energy: -60.194 tors. eta vs tors. theta energy: -103.253 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: 8, replica: 3 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1312.726974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.726974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.726974 (E_RNA) where: Base-Base interactions energy: -791.975 where: short stacking energy: -382.489 Base-Backbone interact. energy: 9.252 local terms energy: -530.003407 where: bonds (distance) C4'-P energy: -114.207 bonds (distance) P-C4' energy: -155.270 flat angles C4'-P-C4' energy: -154.261 flat angles P-C4'-P energy: -61.560 tors. eta vs tors. theta energy: -44.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1126.984900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.984900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.984900 (E_RNA) where: Base-Base interactions energy: -672.339 where: short stacking energy: -337.316 Base-Backbone interact. energy: -0.093 local terms energy: -454.552807 where: bonds (distance) C4'-P energy: -124.593 bonds (distance) P-C4' energy: -143.733 flat angles C4'-P-C4' energy: -105.824 flat angles P-C4'-P energy: -52.268 tors. eta vs tors. theta energy: -28.134 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: 5 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -930.231186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.231186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.231186 (E_RNA) where: Base-Base interactions energy: -494.545 where: short stacking energy: -303.613 Base-Backbone interact. energy: 3.410 local terms energy: -439.095556 where: bonds (distance) C4'-P energy: -113.361 bonds (distance) P-C4' energy: -132.717 flat angles C4'-P-C4' energy: -107.753 flat angles P-C4'-P energy: -77.346 tors. eta vs tors. theta energy: -7.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2523.695081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.695081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.695081 (E_RNA) where: Base-Base interactions energy: -1718.590 where: short stacking energy: -813.433 Base-Backbone interact. energy: -0.868 local terms energy: -804.236809 where: bonds (distance) C4'-P energy: -152.883 bonds (distance) P-C4' energy: -167.568 flat angles C4'-P-C4' energy: -183.713 flat angles P-C4'-P energy: -108.920 tors. eta vs tors. theta energy: -191.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2468.668538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.668538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.668538 (E_RNA) where: Base-Base interactions energy: -1689.022 where: short stacking energy: -742.164 Base-Backbone interact. energy: -4.766 local terms energy: -774.881144 where: bonds (distance) C4'-P energy: -150.392 bonds (distance) P-C4' energy: -153.611 flat angles C4'-P-C4' energy: -165.772 flat angles P-C4'-P energy: -113.908 tors. eta vs tors. theta energy: -191.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2299.342751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.342751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.342751 (E_RNA) where: Base-Base interactions energy: -1547.363 where: short stacking energy: -729.997 Base-Backbone interact. energy: 0.398 local terms energy: -752.377368 where: bonds (distance) C4'-P energy: -148.186 bonds (distance) P-C4' energy: -143.070 flat angles C4'-P-C4' energy: -163.639 flat angles P-C4'-P energy: -107.194 tors. eta vs tors. theta energy: -190.288 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: 10 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2096.351155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.351155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.351155 (E_RNA) where: Base-Base interactions energy: -1412.471 where: short stacking energy: -642.111 Base-Backbone interact. energy: 0.191 local terms energy: -684.070433 where: bonds (distance) C4'-P energy: -151.257 bonds (distance) P-C4' energy: -154.599 flat angles C4'-P-C4' energy: -149.819 flat angles P-C4'-P energy: -84.310 tors. eta vs tors. theta energy: -144.086 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: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1879.721368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.721368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.721368 (E_RNA) where: Base-Base interactions energy: -1230.228 where: short stacking energy: -609.400 Base-Backbone interact. energy: 0.488 local terms energy: -649.980986 where: bonds (distance) C4'-P energy: -136.152 bonds (distance) P-C4' energy: -150.327 flat angles C4'-P-C4' energy: -146.514 flat angles P-C4'-P energy: -90.624 tors. eta vs tors. theta energy: -126.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1769.137649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.137649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.137649 (E_RNA) where: Base-Base interactions energy: -1153.835 where: short stacking energy: -573.910 Base-Backbone interact. energy: -1.106 local terms energy: -614.196465 where: bonds (distance) C4'-P energy: -141.074 bonds (distance) P-C4' energy: -134.694 flat angles C4'-P-C4' energy: -142.746 flat angles P-C4'-P energy: -84.246 tors. eta vs tors. theta energy: -111.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1632.025898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.025898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.025898 (E_RNA) where: Base-Base interactions energy: -1017.715 where: short stacking energy: -506.881 Base-Backbone interact. energy: 2.921 local terms energy: -617.231675 where: bonds (distance) C4'-P energy: -136.537 bonds (distance) P-C4' energy: -139.121 flat angles C4'-P-C4' energy: -146.669 flat angles P-C4'-P energy: -81.161 tors. eta vs tors. theta energy: -113.743 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: 3 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1336.465362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.465362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.465362 (E_RNA) where: Base-Base interactions energy: -806.066 where: short stacking energy: -402.558 Base-Backbone interact. energy: -4.450 local terms energy: -525.949889 where: bonds (distance) C4'-P energy: -134.297 bonds (distance) P-C4' energy: -139.305 flat angles C4'-P-C4' energy: -129.116 flat angles P-C4'-P energy: -75.998 tors. eta vs tors. theta energy: -47.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1072.551394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.551394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.551394 (E_RNA) where: Base-Base interactions energy: -615.769 where: short stacking energy: -330.597 Base-Backbone interact. energy: -1.163 local terms energy: -455.619084 where: bonds (distance) C4'-P energy: -136.775 bonds (distance) P-C4' energy: -126.649 flat angles C4'-P-C4' energy: -101.952 flat angles P-C4'-P energy: -62.138 tors. eta vs tors. theta energy: -28.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -899.191815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.191815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.191815 (E_RNA) where: Base-Base interactions energy: -443.150 where: short stacking energy: -244.604 Base-Backbone interact. energy: -2.247 local terms energy: -453.794443 where: bonds (distance) C4'-P energy: -130.137 bonds (distance) P-C4' energy: -131.706 flat angles C4'-P-C4' energy: -124.699 flat angles P-C4'-P energy: -68.927 tors. eta vs tors. theta energy: 1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2561.325162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.325162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.325162 (E_RNA) where: Base-Base interactions energy: -1743.867 where: short stacking energy: -807.134 Base-Backbone interact. energy: -0.922 local terms energy: -816.536259 where: bonds (distance) C4'-P energy: -157.975 bonds (distance) P-C4' energy: -148.655 flat angles C4'-P-C4' energy: -181.274 flat angles P-C4'-P energy: -118.704 tors. eta vs tors. theta energy: -209.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2487.800219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.800219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.800219 (E_RNA) where: Base-Base interactions energy: -1688.079 where: short stacking energy: -740.899 Base-Backbone interact. energy: 4.071 local terms energy: -803.792961 where: bonds (distance) C4'-P energy: -152.077 bonds (distance) P-C4' energy: -166.516 flat angles C4'-P-C4' energy: -175.684 flat angles P-C4'-P energy: -116.055 tors. eta vs tors. theta energy: -193.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2292.382326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.382326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.382326 (E_RNA) where: Base-Base interactions energy: -1542.412 where: short stacking energy: -735.110 Base-Backbone interact. energy: -2.749 local terms energy: -747.221719 where: bonds (distance) C4'-P energy: -152.473 bonds (distance) P-C4' energy: -136.442 flat angles C4'-P-C4' energy: -155.671 flat angles P-C4'-P energy: -111.345 tors. eta vs tors. theta energy: -191.291 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: 10 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -2084.265111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.265111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.265111 (E_RNA) where: Base-Base interactions energy: -1382.443 where: short stacking energy: -672.551 Base-Backbone interact. energy: 0.545 local terms energy: -702.367260 where: bonds (distance) C4'-P energy: -142.718 bonds (distance) P-C4' energy: -163.100 flat angles C4'-P-C4' energy: -171.496 flat angles P-C4'-P energy: -90.186 tors. eta vs tors. theta energy: -134.866 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: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1924.825284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.825284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.825284 (E_RNA) where: Base-Base interactions energy: -1268.839 where: short stacking energy: -627.060 Base-Backbone interact. energy: -5.104 local terms energy: -650.882712 where: bonds (distance) C4'-P energy: -126.208 bonds (distance) P-C4' energy: -148.239 flat angles C4'-P-C4' energy: -147.852 flat angles P-C4'-P energy: -94.909 tors. eta vs tors. theta energy: -133.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1718.825787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.825787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.825787 (E_RNA) where: Base-Base interactions energy: -1093.392 where: short stacking energy: -523.809 Base-Backbone interact. energy: 0.244 local terms energy: -625.677282 where: bonds (distance) C4'-P energy: -150.685 bonds (distance) P-C4' energy: -128.875 flat angles C4'-P-C4' energy: -142.697 flat angles P-C4'-P energy: -93.033 tors. eta vs tors. theta energy: -110.387 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: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1629.393963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.393963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.393963 (E_RNA) where: Base-Base interactions energy: -1031.887 where: short stacking energy: -488.871 Base-Backbone interact. energy: -3.739 local terms energy: -593.767439 where: bonds (distance) C4'-P energy: -124.464 bonds (distance) P-C4' energy: -146.877 flat angles C4'-P-C4' energy: -135.210 flat angles P-C4'-P energy: -82.943 tors. eta vs tors. theta energy: -104.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1350.399335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.399335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.399335 (E_RNA) where: Base-Base interactions energy: -829.170 where: short stacking energy: -424.364 Base-Backbone interact. energy: -4.471 local terms energy: -516.758002 where: bonds (distance) C4'-P energy: -114.943 bonds (distance) P-C4' energy: -135.143 flat angles C4'-P-C4' energy: -142.286 flat angles P-C4'-P energy: -67.626 tors. eta vs tors. theta energy: -56.760 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: 28 Temperature: 1.300000 Total energy: -1089.686383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.686383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.686383 (E_RNA) where: Base-Base interactions energy: -655.556 where: short stacking energy: -332.105 Base-Backbone interact. energy: 0.363 local terms energy: -434.493745 where: bonds (distance) C4'-P energy: -132.525 bonds (distance) P-C4' energy: -125.309 flat angles C4'-P-C4' energy: -111.374 flat angles P-C4'-P energy: -42.209 tors. eta vs tors. theta energy: -23.077 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: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -914.787830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.787830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.787830 (E_RNA) where: Base-Base interactions energy: -493.844 where: short stacking energy: -279.909 Base-Backbone interact. energy: 0.302 local terms energy: -421.246438 where: bonds (distance) C4'-P energy: -118.127 bonds (distance) P-C4' energy: -114.995 flat angles C4'-P-C4' energy: -109.802 flat angles P-C4'-P energy: -71.458 tors. eta vs tors. theta energy: -6.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2525.115374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.115374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.115374 (E_RNA) where: Base-Base interactions energy: -1729.298 where: short stacking energy: -788.596 Base-Backbone interact. energy: -4.151 local terms energy: -791.665806 where: bonds (distance) C4'-P energy: -165.175 bonds (distance) P-C4' energy: -144.337 flat angles C4'-P-C4' energy: -178.561 flat angles P-C4'-P energy: -110.367 tors. eta vs tors. theta energy: -193.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2520.723547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.723547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.723547 (E_RNA) where: Base-Base interactions energy: -1721.555 where: short stacking energy: -776.141 Base-Backbone interact. energy: -2.150 local terms energy: -797.018342 where: bonds (distance) C4'-P energy: -147.397 bonds (distance) P-C4' energy: -163.486 flat angles C4'-P-C4' energy: -177.657 flat angles P-C4'-P energy: -124.144 tors. eta vs tors. theta energy: -184.334 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: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2319.522393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.522393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.522393 (E_RNA) where: Base-Base interactions energy: -1582.555 where: short stacking energy: -706.123 Base-Backbone interact. energy: -2.593 local terms energy: -734.374442 where: bonds (distance) C4'-P energy: -144.405 bonds (distance) P-C4' energy: -146.408 flat angles C4'-P-C4' energy: -178.774 flat angles P-C4'-P energy: -88.036 tors. eta vs tors. theta energy: -176.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2101.650546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.650546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.650546 (E_RNA) where: Base-Base interactions energy: -1395.583 where: short stacking energy: -680.261 Base-Backbone interact. energy: -3.056 local terms energy: -703.011616 where: bonds (distance) C4'-P energy: -158.782 bonds (distance) P-C4' energy: -143.535 flat angles C4'-P-C4' energy: -164.523 flat angles P-C4'-P energy: -82.982 tors. eta vs tors. theta energy: -153.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1907.735390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.735390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.735390 (E_RNA) where: Base-Base interactions energy: -1284.192 where: short stacking energy: -604.993 Base-Backbone interact. energy: -2.760 local terms energy: -620.782528 where: bonds (distance) C4'-P energy: -126.037 bonds (distance) P-C4' energy: -147.629 flat angles C4'-P-C4' energy: -147.394 flat angles P-C4'-P energy: -85.466 tors. eta vs tors. theta energy: -114.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1716.900994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.900994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.900994 (E_RNA) where: Base-Base interactions energy: -1085.347 where: short stacking energy: -566.316 Base-Backbone interact. energy: 3.210 local terms energy: -634.763420 where: bonds (distance) C4'-P energy: -115.229 bonds (distance) P-C4' energy: -143.104 flat angles C4'-P-C4' energy: -132.046 flat angles P-C4'-P energy: -105.901 tors. eta vs tors. theta energy: -138.483 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: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1593.424152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.424152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.424152 (E_RNA) where: Base-Base interactions energy: -1014.258 where: short stacking energy: -514.267 Base-Backbone interact. energy: -0.645 local terms energy: -578.520587 where: bonds (distance) C4'-P energy: -134.796 bonds (distance) P-C4' energy: -142.715 flat angles C4'-P-C4' energy: -136.708 flat angles P-C4'-P energy: -88.551 tors. eta vs tors. theta energy: -75.749 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: 3 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1327.746760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.746760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.746760 (E_RNA) where: Base-Base interactions energy: -798.813 where: short stacking energy: -430.157 Base-Backbone interact. energy: 1.538 local terms energy: -530.472588 where: bonds (distance) C4'-P energy: -132.310 bonds (distance) P-C4' energy: -137.621 flat angles C4'-P-C4' energy: -122.105 flat angles P-C4'-P energy: -70.972 tors. eta vs tors. theta energy: -67.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1101.564599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.564599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.564599 (E_RNA) where: Base-Base interactions energy: -631.746 where: short stacking energy: -360.620 Base-Backbone interact. energy: 1.566 local terms energy: -471.384399 where: bonds (distance) C4'-P energy: -108.219 bonds (distance) P-C4' energy: -132.369 flat angles C4'-P-C4' energy: -110.480 flat angles P-C4'-P energy: -76.496 tors. eta vs tors. theta energy: -43.820 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: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -981.953588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.953588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.953588 (E_RNA) where: Base-Base interactions energy: -550.064 where: short stacking energy: -301.617 Base-Backbone interact. energy: 1.571 local terms energy: -433.460024 where: bonds (distance) C4'-P energy: -117.676 bonds (distance) P-C4' energy: -136.756 flat angles C4'-P-C4' energy: -113.853 flat angles P-C4'-P energy: -67.100 tors. eta vs tors. theta energy: 1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2553.286742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.286742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.286742 (E_RNA) where: Base-Base interactions energy: -1742.845 where: short stacking energy: -788.121 Base-Backbone interact. energy: -1.460 local terms energy: -808.981529 where: bonds (distance) C4'-P energy: -153.437 bonds (distance) P-C4' energy: -157.030 flat angles C4'-P-C4' energy: -181.535 flat angles P-C4'-P energy: -123.054 tors. eta vs tors. theta energy: -193.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2487.122203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.122203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.122203 (E_RNA) where: Base-Base interactions energy: -1697.837 where: short stacking energy: -783.250 Base-Backbone interact. energy: -5.434 local terms energy: -783.851141 where: bonds (distance) C4'-P energy: -162.122 bonds (distance) P-C4' energy: -165.737 flat angles C4'-P-C4' energy: -159.024 flat angles P-C4'-P energy: -103.322 tors. eta vs tors. theta energy: -193.646 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: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2375.730805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.730805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.730805 (E_RNA) where: Base-Base interactions energy: -1604.288 where: short stacking energy: -730.940 Base-Backbone interact. energy: -2.701 local terms energy: -768.741525 where: bonds (distance) C4'-P energy: -137.911 bonds (distance) P-C4' energy: -151.091 flat angles C4'-P-C4' energy: -180.565 flat angles P-C4'-P energy: -107.798 tors. eta vs tors. theta energy: -191.376 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: 10 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2114.291434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.291434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.291434 (E_RNA) where: Base-Base interactions energy: -1415.053 where: short stacking energy: -681.872 Base-Backbone interact. energy: -2.247 local terms energy: -696.992018 where: bonds (distance) C4'-P energy: -150.991 bonds (distance) P-C4' energy: -148.654 flat angles C4'-P-C4' energy: -145.157 flat angles P-C4'-P energy: -90.483 tors. eta vs tors. theta energy: -161.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1951.882002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.882002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.882002 (E_RNA) where: Base-Base interactions energy: -1287.909 where: short stacking energy: -595.167 Base-Backbone interact. energy: -3.566 local terms energy: -660.406974 where: bonds (distance) C4'-P energy: -137.671 bonds (distance) P-C4' energy: -135.868 flat angles C4'-P-C4' energy: -151.965 flat angles P-C4'-P energy: -100.638 tors. eta vs tors. theta energy: -134.265 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: 6, replica: 7 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1651.318159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.318159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.318159 (E_RNA) where: Base-Base interactions energy: -1028.550 where: short stacking energy: -525.903 Base-Backbone interact. energy: -1.064 local terms energy: -621.704626 where: bonds (distance) C4'-P energy: -161.767 bonds (distance) P-C4' energy: -131.805 flat angles C4'-P-C4' energy: -134.472 flat angles P-C4'-P energy: -82.564 tors. eta vs tors. theta energy: -111.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1674.409047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.409047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.409047 (E_RNA) where: Base-Base interactions energy: -1055.306 where: short stacking energy: -535.304 Base-Backbone interact. energy: -1.239 local terms energy: -617.863935 where: bonds (distance) C4'-P energy: -122.572 bonds (distance) P-C4' energy: -131.730 flat angles C4'-P-C4' energy: -160.478 flat angles P-C4'-P energy: -88.831 tors. eta vs tors. theta energy: -114.253 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: 8, replica: 3 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1358.487974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.487974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.487974 (E_RNA) where: Base-Base interactions energy: -792.745 where: short stacking energy: -407.090 Base-Backbone interact. energy: -0.161 local terms energy: -565.581722 where: bonds (distance) C4'-P energy: -129.028 bonds (distance) P-C4' energy: -146.179 flat angles C4'-P-C4' energy: -138.265 flat angles P-C4'-P energy: -86.460 tors. eta vs tors. theta energy: -65.651 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: 9, replica: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1146.870458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.870458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.870458 (E_RNA) where: Base-Base interactions energy: -672.068 where: short stacking energy: -371.501 Base-Backbone interact. energy: -6.321 local terms energy: -468.481394 where: bonds (distance) C4'-P energy: -131.447 bonds (distance) P-C4' energy: -133.018 flat angles C4'-P-C4' energy: -110.543 flat angles P-C4'-P energy: -55.046 tors. eta vs tors. theta energy: -38.428 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: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -1056.607391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.607391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.607391 (E_RNA) where: Base-Base interactions energy: -582.526 where: short stacking energy: -287.488 Base-Backbone interact. energy: -2.401 local terms energy: -471.681339 where: bonds (distance) C4'-P energy: -118.322 bonds (distance) P-C4' energy: -142.973 flat angles C4'-P-C4' energy: -123.384 flat angles P-C4'-P energy: -61.621 tors. eta vs tors. theta energy: -25.380 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: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2575.071023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.071023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.071023 (E_RNA) where: Base-Base interactions energy: -1770.381 where: short stacking energy: -778.913 Base-Backbone interact. energy: -5.138 local terms energy: -799.551769 where: bonds (distance) C4'-P energy: -136.513 bonds (distance) P-C4' energy: -170.266 flat angles C4'-P-C4' energy: -181.081 flat angles P-C4'-P energy: -113.228 tors. eta vs tors. theta energy: -198.464 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: 31 Temperature: 0.950000 Total energy: -2483.484139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.484139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.484139 (E_RNA) where: Base-Base interactions energy: -1691.159 where: short stacking energy: -797.476 Base-Backbone interact. energy: -1.568 local terms energy: -790.756401 where: bonds (distance) C4'-P energy: -147.698 bonds (distance) P-C4' energy: -174.967 flat angles C4'-P-C4' energy: -171.321 flat angles P-C4'-P energy: -112.879 tors. eta vs tors. theta energy: -183.891 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: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2346.784110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.784110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.784110 (E_RNA) where: Base-Base interactions energy: -1585.615 where: short stacking energy: -702.632 Base-Backbone interact. energy: -1.129 local terms energy: -760.039651 where: bonds (distance) C4'-P energy: -147.049 bonds (distance) P-C4' energy: -152.757 flat angles C4'-P-C4' energy: -166.491 flat angles P-C4'-P energy: -124.160 tors. eta vs tors. theta energy: -169.583 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: 10 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2189.003654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.003654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.003654 (E_RNA) where: Base-Base interactions energy: -1484.654 where: short stacking energy: -651.268 Base-Backbone interact. energy: 4.726 local terms energy: -709.075129 where: bonds (distance) C4'-P energy: -139.899 bonds (distance) P-C4' energy: -145.226 flat angles C4'-P-C4' energy: -164.311 flat angles P-C4'-P energy: -105.843 tors. eta vs tors. theta energy: -153.796 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: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1978.121029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.121029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.121029 (E_RNA) where: Base-Base interactions energy: -1293.767 where: short stacking energy: -614.559 Base-Backbone interact. energy: -1.512 local terms energy: -682.842015 where: bonds (distance) C4'-P energy: -143.883 bonds (distance) P-C4' energy: -146.327 flat angles C4'-P-C4' energy: -167.647 flat angles P-C4'-P energy: -88.063 tors. eta vs tors. theta energy: -136.922 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: 31 Temperature: 1.150000 Total energy: -1721.307510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.307510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.307510 (E_RNA) where: Base-Base interactions energy: -1060.765 where: short stacking energy: -528.401 Base-Backbone interact. energy: -0.721 local terms energy: -659.821682 where: bonds (distance) C4'-P energy: -140.845 bonds (distance) P-C4' energy: -139.877 flat angles C4'-P-C4' energy: -147.632 flat angles P-C4'-P energy: -112.564 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: 7, replica: 4 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1724.093045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.093045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.093045 (E_RNA) where: Base-Base interactions energy: -1093.669 where: short stacking energy: -521.424 Base-Backbone interact. energy: -2.049 local terms energy: -628.375157 where: bonds (distance) C4'-P energy: -133.421 bonds (distance) P-C4' energy: -138.823 flat angles C4'-P-C4' energy: -136.301 flat angles P-C4'-P energy: -95.132 tors. eta vs tors. theta energy: -124.698 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: 3 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1302.024865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.024865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.024865 (E_RNA) where: Base-Base interactions energy: -769.424 where: short stacking energy: -422.472 Base-Backbone interact. energy: 0.675 local terms energy: -533.276115 where: bonds (distance) C4'-P energy: -118.746 bonds (distance) P-C4' energy: -139.468 flat angles C4'-P-C4' energy: -137.796 flat angles P-C4'-P energy: -81.334 tors. eta vs tors. theta energy: -55.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1100.047758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.047758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.047758 (E_RNA) where: Base-Base interactions energy: -606.748 where: short stacking energy: -318.873 Base-Backbone interact. energy: -3.597 local terms energy: -489.702794 where: bonds (distance) C4'-P energy: -129.676 bonds (distance) P-C4' energy: -131.330 flat angles C4'-P-C4' energy: -123.885 flat angles P-C4'-P energy: -78.267 tors. eta vs tors. theta energy: -26.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -975.020407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.020407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.020407 (E_RNA) where: Base-Base interactions energy: -559.194 where: short stacking energy: -283.847 Base-Backbone interact. energy: -3.928 local terms energy: -411.898515 where: bonds (distance) C4'-P energy: -126.160 bonds (distance) P-C4' energy: -137.385 flat angles C4'-P-C4' energy: -107.232 flat angles P-C4'-P energy: -55.146 tors. eta vs tors. theta energy: 14.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2585.414345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.414345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.414345 (E_RNA) where: Base-Base interactions energy: -1785.485 where: short stacking energy: -791.943 Base-Backbone interact. energy: 0.692 local terms energy: -800.620742 where: bonds (distance) C4'-P energy: -158.910 bonds (distance) P-C4' energy: -150.931 flat angles C4'-P-C4' energy: -174.303 flat angles P-C4'-P energy: -117.722 tors. eta vs tors. theta energy: -198.755 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: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2552.008366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.008366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.008366 (E_RNA) where: Base-Base interactions energy: -1745.810 where: short stacking energy: -784.782 Base-Backbone interact. energy: 1.385 local terms energy: -807.583024 where: bonds (distance) C4'-P energy: -161.279 bonds (distance) P-C4' energy: -176.923 flat angles C4'-P-C4' energy: -172.739 flat angles P-C4'-P energy: -100.722 tors. eta vs tors. theta energy: -195.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2343.128146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.128146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.128146 (E_RNA) where: Base-Base interactions energy: -1623.738 where: short stacking energy: -742.823 Base-Backbone interact. energy: -4.264 local terms energy: -715.125960 where: bonds (distance) C4'-P energy: -136.208 bonds (distance) P-C4' energy: -143.063 flat angles C4'-P-C4' energy: -172.781 flat angles P-C4'-P energy: -89.909 tors. eta vs tors. theta energy: -173.165 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: 10 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2223.369829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.369829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.369829 (E_RNA) where: Base-Base interactions energy: -1513.249 where: short stacking energy: -687.241 Base-Backbone interact. energy: -2.532 local terms energy: -707.588039 where: bonds (distance) C4'-P energy: -143.248 bonds (distance) P-C4' energy: -148.458 flat angles C4'-P-C4' energy: -164.727 flat angles P-C4'-P energy: -96.781 tors. eta vs tors. theta energy: -154.374 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: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2020.359694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.359694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.359694 (E_RNA) where: Base-Base interactions energy: -1345.903 where: short stacking energy: -596.533 Base-Backbone interact. energy: -1.762 local terms energy: -672.694727 where: bonds (distance) C4'-P energy: -157.281 bonds (distance) P-C4' energy: -160.159 flat angles C4'-P-C4' energy: -148.027 flat angles P-C4'-P energy: -80.183 tors. eta vs tors. theta energy: -127.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1780.683823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.683823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.683823 (E_RNA) where: Base-Base interactions energy: -1105.876 where: short stacking energy: -566.536 Base-Backbone interact. energy: -0.133 local terms energy: -674.674968 where: bonds (distance) C4'-P energy: -153.270 bonds (distance) P-C4' energy: -148.388 flat angles C4'-P-C4' energy: -146.947 flat angles P-C4'-P energy: -93.820 tors. eta vs tors. theta energy: -132.250 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: 4 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1701.276374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.276374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.276374 (E_RNA) where: Base-Base interactions energy: -1105.095 where: short stacking energy: -528.637 Base-Backbone interact. energy: -0.389 local terms energy: -595.791716 where: bonds (distance) C4'-P energy: -107.021 bonds (distance) P-C4' energy: -145.489 flat angles C4'-P-C4' energy: -140.189 flat angles P-C4'-P energy: -102.599 tors. eta vs tors. theta energy: -100.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1373.078852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.078852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.078852 (E_RNA) where: Base-Base interactions energy: -830.062 where: short stacking energy: -420.510 Base-Backbone interact. energy: -0.496 local terms energy: -542.520537 where: bonds (distance) C4'-P energy: -117.983 bonds (distance) P-C4' energy: -135.090 flat angles C4'-P-C4' energy: -144.160 flat angles P-C4'-P energy: -82.627 tors. eta vs tors. theta energy: -62.660 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: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1214.883280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.883280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.883280 (E_RNA) where: Base-Base interactions energy: -712.401 where: short stacking energy: -365.540 Base-Backbone interact. energy: 6.842 local terms energy: -509.324055 where: bonds (distance) C4'-P energy: -109.362 bonds (distance) P-C4' energy: -137.707 flat angles C4'-P-C4' energy: -129.261 flat angles P-C4'-P energy: -95.003 tors. eta vs tors. theta energy: -37.992 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: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -992.553168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.553168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.553168 (E_RNA) where: Base-Base interactions energy: -555.511 where: short stacking energy: -303.691 Base-Backbone interact. energy: -0.908 local terms energy: -436.134303 where: bonds (distance) C4'-P energy: -106.782 bonds (distance) P-C4' energy: -125.500 flat angles C4'-P-C4' energy: -94.417 flat angles P-C4'-P energy: -79.335 tors. eta vs tors. theta energy: -30.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2608.050901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.050901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.050901 (E_RNA) where: Base-Base interactions energy: -1793.378 where: short stacking energy: -792.674 Base-Backbone interact. energy: -2.543 local terms energy: -812.129458 where: bonds (distance) C4'-P energy: -148.942 bonds (distance) P-C4' energy: -168.106 flat angles C4'-P-C4' energy: -189.875 flat angles P-C4'-P energy: -109.922 tors. eta vs tors. theta energy: -195.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2554.474520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.474520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.474520 (E_RNA) where: Base-Base interactions energy: -1726.069 where: short stacking energy: -790.911 Base-Backbone interact. energy: 3.818 local terms energy: -832.223203 where: bonds (distance) C4'-P energy: -151.538 bonds (distance) P-C4' energy: -163.360 flat angles C4'-P-C4' energy: -191.096 flat angles P-C4'-P energy: -119.567 tors. eta vs tors. theta energy: -206.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2401.446750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.446750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.446750 (E_RNA) where: Base-Base interactions energy: -1661.580 where: short stacking energy: -736.622 Base-Backbone interact. energy: 0.987 local terms energy: -740.853157 where: bonds (distance) C4'-P energy: -143.593 bonds (distance) P-C4' energy: -148.801 flat angles C4'-P-C4' energy: -164.486 flat angles P-C4'-P energy: -115.801 tors. eta vs tors. theta energy: -168.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2196.294326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.294326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.294326 (E_RNA) where: Base-Base interactions energy: -1476.093 where: short stacking energy: -657.980 Base-Backbone interact. energy: -1.950 local terms energy: -718.251260 where: bonds (distance) C4'-P energy: -131.666 bonds (distance) P-C4' energy: -145.456 flat angles C4'-P-C4' energy: -170.814 flat angles P-C4'-P energy: -109.538 tors. eta vs tors. theta energy: -160.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -2001.629904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.629904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.629904 (E_RNA) where: Base-Base interactions energy: -1345.003 where: short stacking energy: -604.460 Base-Backbone interact. energy: -1.441 local terms energy: -655.185010 where: bonds (distance) C4'-P energy: -140.318 bonds (distance) P-C4' energy: -155.266 flat angles C4'-P-C4' energy: -149.361 flat angles P-C4'-P energy: -91.888 tors. eta vs tors. theta energy: -118.353 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: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1752.617860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.617860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.617860 (E_RNA) where: Base-Base interactions energy: -1132.288 where: short stacking energy: -565.391 Base-Backbone interact. energy: 0.241 local terms energy: -620.571326 where: bonds (distance) C4'-P energy: -115.750 bonds (distance) P-C4' energy: -132.433 flat angles C4'-P-C4' energy: -139.435 flat angles P-C4'-P energy: -104.100 tors. eta vs tors. theta energy: -128.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1705.109228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.109228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.109228 (E_RNA) where: Base-Base interactions energy: -1090.495 where: short stacking energy: -509.706 Base-Backbone interact. energy: 6.864 local terms energy: -621.478287 where: bonds (distance) C4'-P energy: -148.163 bonds (distance) P-C4' energy: -129.854 flat angles C4'-P-C4' energy: -138.914 flat angles P-C4'-P energy: -95.480 tors. eta vs tors. theta energy: -109.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1526.982058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.982058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.982058 (E_RNA) where: Base-Base interactions energy: -952.214 where: short stacking energy: -472.562 Base-Backbone interact. energy: 0.113 local terms energy: -574.880392 where: bonds (distance) C4'-P energy: -126.764 bonds (distance) P-C4' energy: -133.767 flat angles C4'-P-C4' energy: -153.825 flat angles P-C4'-P energy: -76.136 tors. eta vs tors. theta energy: -84.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1153.193815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.193815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.193815 (E_RNA) where: Base-Base interactions energy: -673.364 where: short stacking energy: -347.060 Base-Backbone interact. energy: -2.592 local terms energy: -477.237962 where: bonds (distance) C4'-P energy: -119.662 bonds (distance) P-C4' energy: -137.570 flat angles C4'-P-C4' energy: -121.820 flat angles P-C4'-P energy: -76.795 tors. eta vs tors. theta energy: -21.391 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: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -1013.303505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.303505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.303505 (E_RNA) where: Base-Base interactions energy: -569.185 where: short stacking energy: -311.202 Base-Backbone interact. energy: -0.816 local terms energy: -443.303084 where: bonds (distance) C4'-P energy: -102.987 bonds (distance) P-C4' energy: -127.178 flat angles C4'-P-C4' energy: -116.198 flat angles P-C4'-P energy: -71.602 tors. eta vs tors. theta energy: -25.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2579.141017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.141017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.141017 (E_RNA) where: Base-Base interactions energy: -1788.030 where: short stacking energy: -744.104 Base-Backbone interact. energy: -2.905 local terms energy: -788.205969 where: bonds (distance) C4'-P energy: -156.152 bonds (distance) P-C4' energy: -175.906 flat angles C4'-P-C4' energy: -177.062 flat angles P-C4'-P energy: -104.174 tors. eta vs tors. theta energy: -174.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2510.866318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.866318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.866318 (E_RNA) where: Base-Base interactions energy: -1711.121 where: short stacking energy: -792.899 Base-Backbone interact. energy: -1.706 local terms energy: -798.038652 where: bonds (distance) C4'-P energy: -157.578 bonds (distance) P-C4' energy: -144.725 flat angles C4'-P-C4' energy: -176.649 flat angles P-C4'-P energy: -115.997 tors. eta vs tors. theta energy: -203.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2384.888293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.888293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.888293 (E_RNA) where: Base-Base interactions energy: -1653.622 where: short stacking energy: -729.259 Base-Backbone interact. energy: -2.618 local terms energy: -728.648350 where: bonds (distance) C4'-P energy: -154.001 bonds (distance) P-C4' energy: -144.937 flat angles C4'-P-C4' energy: -150.546 flat angles P-C4'-P energy: -101.539 tors. eta vs tors. theta energy: -177.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2175.082968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.082968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.082968 (E_RNA) where: Base-Base interactions energy: -1495.528 where: short stacking energy: -692.417 Base-Backbone interact. energy: 2.409 local terms energy: -681.964026 where: bonds (distance) C4'-P energy: -136.428 bonds (distance) P-C4' energy: -141.629 flat angles C4'-P-C4' energy: -158.988 flat angles P-C4'-P energy: -84.505 tors. eta vs tors. theta energy: -160.414 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: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2043.403899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.403899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.403899 (E_RNA) where: Base-Base interactions energy: -1366.237 where: short stacking energy: -620.184 Base-Backbone interact. energy: -2.502 local terms energy: -674.664819 where: bonds (distance) C4'-P energy: -139.800 bonds (distance) P-C4' energy: -163.040 flat angles C4'-P-C4' energy: -135.067 flat angles P-C4'-P energy: -95.168 tors. eta vs tors. theta energy: -141.590 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: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1793.903692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.903692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.903692 (E_RNA) where: Base-Base interactions energy: -1129.000 where: short stacking energy: -559.511 Base-Backbone interact. energy: -3.872 local terms energy: -661.031481 where: bonds (distance) C4'-P energy: -132.190 bonds (distance) P-C4' energy: -148.641 flat angles C4'-P-C4' energy: -148.621 flat angles P-C4'-P energy: -103.205 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: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1712.866973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.866973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.866973 (E_RNA) where: Base-Base interactions energy: -1092.493 where: short stacking energy: -510.331 Base-Backbone interact. energy: -4.670 local terms energy: -615.704122 where: bonds (distance) C4'-P energy: -125.413 bonds (distance) P-C4' energy: -154.091 flat angles C4'-P-C4' energy: -139.387 flat angles P-C4'-P energy: -97.454 tors. eta vs tors. theta energy: -99.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1502.577176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.577176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.577176 (E_RNA) where: Base-Base interactions energy: -913.660 where: short stacking energy: -461.429 Base-Backbone interact. energy: -1.269 local terms energy: -587.648184 where: bonds (distance) C4'-P energy: -131.671 bonds (distance) P-C4' energy: -175.500 flat angles C4'-P-C4' energy: -132.431 flat angles P-C4'-P energy: -62.832 tors. eta vs tors. theta energy: -85.214 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: 34 Temperature: 1.300000 Total energy: -1256.846346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.846346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.846346 (E_RNA) where: Base-Base interactions energy: -756.702 where: short stacking energy: -404.594 Base-Backbone interact. energy: -0.665 local terms energy: -499.479280 where: bonds (distance) C4'-P energy: -119.831 bonds (distance) P-C4' energy: -117.513 flat angles C4'-P-C4' energy: -129.548 flat angles P-C4'-P energy: -85.434 tors. eta vs tors. theta energy: -47.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -948.040586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.040586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.040586 (E_RNA) where: Base-Base interactions energy: -541.450 where: short stacking energy: -302.128 Base-Backbone interact. energy: 10.725 local terms energy: -417.316164 where: bonds (distance) C4'-P energy: -121.914 bonds (distance) P-C4' energy: -149.071 flat angles C4'-P-C4' energy: -117.025 flat angles P-C4'-P energy: -25.812 tors. eta vs tors. theta energy: -3.494 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: 35 Temperature: 0.900000 Total energy: -2614.139804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.139804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.139804 (E_RNA) where: Base-Base interactions energy: -1804.015 where: short stacking energy: -807.400 Base-Backbone interact. energy: -4.932 local terms energy: -805.193176 where: bonds (distance) C4'-P energy: -158.588 bonds (distance) P-C4' energy: -160.584 flat angles C4'-P-C4' energy: -183.421 flat angles P-C4'-P energy: -118.714 tors. eta vs tors. theta energy: -183.887 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: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2479.581044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.581044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.581044 (E_RNA) where: Base-Base interactions energy: -1684.441 where: short stacking energy: -744.835 Base-Backbone interact. energy: -4.708 local terms energy: -790.432336 where: bonds (distance) C4'-P energy: -141.669 bonds (distance) P-C4' energy: -174.077 flat angles C4'-P-C4' energy: -180.174 flat angles P-C4'-P energy: -110.947 tors. eta vs tors. theta energy: -183.565 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: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2419.302352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.302352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.302352 (E_RNA) where: Base-Base interactions energy: -1665.516 where: short stacking energy: -719.626 Base-Backbone interact. energy: -2.478 local terms energy: -751.307688 where: bonds (distance) C4'-P energy: -138.810 bonds (distance) P-C4' energy: -155.045 flat angles C4'-P-C4' energy: -166.668 flat angles P-C4'-P energy: -109.582 tors. eta vs tors. theta energy: -181.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2227.288121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.288121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.288121 (E_RNA) where: Base-Base interactions energy: -1485.921 where: short stacking energy: -692.680 Base-Backbone interact. energy: 1.394 local terms energy: -742.761277 where: bonds (distance) C4'-P energy: -144.264 bonds (distance) P-C4' energy: -155.800 flat angles C4'-P-C4' energy: -163.339 flat angles P-C4'-P energy: -110.677 tors. eta vs tors. theta energy: -168.681 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: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1994.597477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.597477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.597477 (E_RNA) where: Base-Base interactions energy: -1340.029 where: short stacking energy: -623.925 Base-Backbone interact. energy: -2.152 local terms energy: -652.416461 where: bonds (distance) C4'-P energy: -124.403 bonds (distance) P-C4' energy: -141.018 flat angles C4'-P-C4' energy: -139.157 flat angles P-C4'-P energy: -110.434 tors. eta vs tors. theta energy: -137.404 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: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1799.181420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.181420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.181420 (E_RNA) where: Base-Base interactions energy: -1126.497 where: short stacking energy: -609.040 Base-Backbone interact. energy: -1.569 local terms energy: -671.115481 where: bonds (distance) C4'-P energy: -121.680 bonds (distance) P-C4' energy: -149.390 flat angles C4'-P-C4' energy: -157.449 flat angles P-C4'-P energy: -91.740 tors. eta vs tors. theta energy: -150.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1720.565772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.565772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.565772 (E_RNA) where: Base-Base interactions energy: -1163.274 where: short stacking energy: -545.222 Base-Backbone interact. energy: 3.342 local terms energy: -560.633811 where: bonds (distance) C4'-P energy: -112.673 bonds (distance) P-C4' energy: -140.459 flat angles C4'-P-C4' energy: -134.116 flat angles P-C4'-P energy: -68.989 tors. eta vs tors. theta energy: -104.397 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: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1419.938812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.938812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.938812 (E_RNA) where: Base-Base interactions energy: -864.944 where: short stacking energy: -393.429 Base-Backbone interact. energy: 5.840 local terms energy: -560.834593 where: bonds (distance) C4'-P energy: -148.075 bonds (distance) P-C4' energy: -152.019 flat angles C4'-P-C4' energy: -141.863 flat angles P-C4'-P energy: -66.654 tors. eta vs tors. theta energy: -52.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1278.804554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.804554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.804554 (E_RNA) where: Base-Base interactions energy: -820.531 where: short stacking energy: -389.007 Base-Backbone interact. energy: 8.696 local terms energy: -466.969343 where: bonds (distance) C4'-P energy: -114.114 bonds (distance) P-C4' energy: -141.373 flat angles C4'-P-C4' energy: -102.970 flat angles P-C4'-P energy: -67.203 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: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -978.368786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.368786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.368786 (E_RNA) where: Base-Base interactions energy: -525.863 where: short stacking energy: -302.147 Base-Backbone interact. energy: 4.848 local terms energy: -457.353509 where: bonds (distance) C4'-P energy: -119.324 bonds (distance) P-C4' energy: -144.531 flat angles C4'-P-C4' energy: -105.408 flat angles P-C4'-P energy: -69.425 tors. eta vs tors. theta energy: -18.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2654.871772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.871772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.871772 (E_RNA) where: Base-Base interactions energy: -1851.031 where: short stacking energy: -814.261 Base-Backbone interact. energy: -4.582 local terms energy: -799.258959 where: bonds (distance) C4'-P energy: -156.536 bonds (distance) P-C4' energy: -153.212 flat angles C4'-P-C4' energy: -186.910 flat angles P-C4'-P energy: -113.704 tors. eta vs tors. theta energy: -188.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2505.031462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.031462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.031462 (E_RNA) where: Base-Base interactions energy: -1732.318 where: short stacking energy: -762.891 Base-Backbone interact. energy: 2.266 local terms energy: -774.979074 where: bonds (distance) C4'-P energy: -126.661 bonds (distance) P-C4' energy: -160.185 flat angles C4'-P-C4' energy: -186.457 flat angles P-C4'-P energy: -111.864 tors. eta vs tors. theta energy: -189.812 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: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2402.982781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.982781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.982781 (E_RNA) where: Base-Base interactions energy: -1629.086 where: short stacking energy: -755.875 Base-Backbone interact. energy: -1.978 local terms energy: -771.918618 where: bonds (distance) C4'-P energy: -135.551 bonds (distance) P-C4' energy: -151.337 flat angles C4'-P-C4' energy: -179.955 flat angles P-C4'-P energy: -118.531 tors. eta vs tors. theta energy: -186.544 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: 10 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2255.845844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.845844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.845844 (E_RNA) where: Base-Base interactions energy: -1533.728 where: short stacking energy: -721.802 Base-Backbone interact. energy: -0.737 local terms energy: -721.381527 where: bonds (distance) C4'-P energy: -130.886 bonds (distance) P-C4' energy: -144.569 flat angles C4'-P-C4' energy: -175.843 flat angles P-C4'-P energy: -93.873 tors. eta vs tors. theta energy: -176.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1990.442406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.442406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.442406 (E_RNA) where: Base-Base interactions energy: -1359.263 where: short stacking energy: -640.017 Base-Backbone interact. energy: 3.718 local terms energy: -634.897602 where: bonds (distance) C4'-P energy: -139.703 bonds (distance) P-C4' energy: -149.097 flat angles C4'-P-C4' energy: -141.226 flat angles P-C4'-P energy: -90.808 tors. eta vs tors. theta energy: -114.064 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: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1776.142779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.142779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.142779 (E_RNA) where: Base-Base interactions energy: -1125.991 where: short stacking energy: -567.882 Base-Backbone interact. energy: -2.069 local terms energy: -648.082691 where: bonds (distance) C4'-P energy: -136.055 bonds (distance) P-C4' energy: -140.149 flat angles C4'-P-C4' energy: -157.179 flat angles P-C4'-P energy: -103.327 tors. eta vs tors. theta energy: -111.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1695.007051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.007051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.007051 (E_RNA) where: Base-Base interactions energy: -1088.962 where: short stacking energy: -501.101 Base-Backbone interact. energy: -5.913 local terms energy: -600.132349 where: bonds (distance) C4'-P energy: -127.987 bonds (distance) P-C4' energy: -142.140 flat angles C4'-P-C4' energy: -134.033 flat angles P-C4'-P energy: -94.268 tors. eta vs tors. theta energy: -101.704 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: 3 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1418.893762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.893762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.893762 (E_RNA) where: Base-Base interactions energy: -877.929 where: short stacking energy: -430.075 Base-Backbone interact. energy: 0.017 local terms energy: -540.981913 where: bonds (distance) C4'-P energy: -125.170 bonds (distance) P-C4' energy: -131.049 flat angles C4'-P-C4' energy: -135.488 flat angles P-C4'-P energy: -87.740 tors. eta vs tors. theta energy: -61.534 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: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1356.830644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.830644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.830644 (E_RNA) where: Base-Base interactions energy: -813.104 where: short stacking energy: -411.491 Base-Backbone interact. energy: 2.254 local terms energy: -545.980947 where: bonds (distance) C4'-P energy: -137.581 bonds (distance) P-C4' energy: -128.977 flat angles C4'-P-C4' energy: -133.797 flat angles P-C4'-P energy: -78.700 tors. eta vs tors. theta energy: -66.927 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: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -1017.924032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.924032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.924032 (E_RNA) where: Base-Base interactions energy: -547.233 where: short stacking energy: -317.151 Base-Backbone interact. energy: -2.163 local terms energy: -468.528086 where: bonds (distance) C4'-P energy: -130.560 bonds (distance) P-C4' energy: -141.434 flat angles C4'-P-C4' energy: -107.972 flat angles P-C4'-P energy: -76.000 tors. eta vs tors. theta energy: -12.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2653.221596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.221596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.221596 (E_RNA) where: Base-Base interactions energy: -1836.007 where: short stacking energy: -805.577 Base-Backbone interact. energy: -0.399 local terms energy: -816.815120 where: bonds (distance) C4'-P energy: -156.876 bonds (distance) P-C4' energy: -156.826 flat angles C4'-P-C4' energy: -179.004 flat angles P-C4'-P energy: -120.890 tors. eta vs tors. theta energy: -203.218 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: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2543.460308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.460308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.460308 (E_RNA) where: Base-Base interactions energy: -1753.692 where: short stacking energy: -772.475 Base-Backbone interact. energy: -1.303 local terms energy: -788.465122 where: bonds (distance) C4'-P energy: -159.311 bonds (distance) P-C4' energy: -146.802 flat angles C4'-P-C4' energy: -174.195 flat angles P-C4'-P energy: -118.486 tors. eta vs tors. theta energy: -189.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2390.799172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.799172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.799172 (E_RNA) where: Base-Base interactions energy: -1619.914 where: short stacking energy: -694.511 Base-Backbone interact. energy: -7.364 local terms energy: -763.521002 where: bonds (distance) C4'-P energy: -168.803 bonds (distance) P-C4' energy: -152.420 flat angles C4'-P-C4' energy: -163.529 flat angles P-C4'-P energy: -110.811 tors. eta vs tors. theta energy: -167.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2200.064879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.064879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.064879 (E_RNA) where: Base-Base interactions energy: -1461.804 where: short stacking energy: -690.619 Base-Backbone interact. energy: -2.982 local terms energy: -735.278416 where: bonds (distance) C4'-P energy: -140.826 bonds (distance) P-C4' energy: -148.897 flat angles C4'-P-C4' energy: -162.517 flat angles P-C4'-P energy: -120.277 tors. eta vs tors. theta energy: -162.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -2003.117515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.117515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.117515 (E_RNA) where: Base-Base interactions energy: -1335.048 where: short stacking energy: -646.192 Base-Backbone interact. energy: -3.561 local terms energy: -664.508707 where: bonds (distance) C4'-P energy: -136.696 bonds (distance) P-C4' energy: -143.453 flat angles C4'-P-C4' energy: -148.990 flat angles P-C4'-P energy: -84.667 tors. eta vs tors. theta energy: -150.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1912.994731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.994731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.994731 (E_RNA) where: Base-Base interactions energy: -1276.934 where: short stacking energy: -626.658 Base-Backbone interact. energy: -1.560 local terms energy: -634.500677 where: bonds (distance) C4'-P energy: -97.687 bonds (distance) P-C4' energy: -137.064 flat angles C4'-P-C4' energy: -151.486 flat angles P-C4'-P energy: -97.066 tors. eta vs tors. theta energy: -151.198 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: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1733.560297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.560297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.560297 (E_RNA) where: Base-Base interactions energy: -1102.433 where: short stacking energy: -519.709 Base-Backbone interact. energy: -1.892 local terms energy: -629.235428 where: bonds (distance) C4'-P energy: -152.104 bonds (distance) P-C4' energy: -147.044 flat angles C4'-P-C4' energy: -141.523 flat angles P-C4'-P energy: -101.529 tors. eta vs tors. theta energy: -87.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1450.501605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.501605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.501605 (E_RNA) where: Base-Base interactions energy: -914.733 where: short stacking energy: -453.716 Base-Backbone interact. energy: 4.712 local terms energy: -540.480265 where: bonds (distance) C4'-P energy: -110.181 bonds (distance) P-C4' energy: -127.401 flat angles C4'-P-C4' energy: -139.667 flat angles P-C4'-P energy: -99.994 tors. eta vs tors. theta energy: -63.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1337.826301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.826301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.826301 (E_RNA) where: Base-Base interactions energy: -806.862 where: short stacking energy: -405.636 Base-Backbone interact. energy: -1.995 local terms energy: -528.969357 where: bonds (distance) C4'-P energy: -116.680 bonds (distance) P-C4' energy: -124.021 flat angles C4'-P-C4' energy: -125.466 flat angles P-C4'-P energy: -100.811 tors. eta vs tors. theta energy: -61.991 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: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -998.998421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.998421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.998421 (E_RNA) where: Base-Base interactions energy: -578.001 where: short stacking energy: -290.756 Base-Backbone interact. energy: 3.588 local terms energy: -424.584921 where: bonds (distance) C4'-P energy: -123.749 bonds (distance) P-C4' energy: -129.978 flat angles C4'-P-C4' energy: -103.266 flat angles P-C4'-P energy: -60.104 tors. eta vs tors. theta energy: -7.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2652.732481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.732481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.732481 (E_RNA) where: Base-Base interactions energy: -1824.599 where: short stacking energy: -816.490 Base-Backbone interact. energy: -2.467 local terms energy: -825.666592 where: bonds (distance) C4'-P energy: -154.849 bonds (distance) P-C4' energy: -169.275 flat angles C4'-P-C4' energy: -185.441 flat angles P-C4'-P energy: -120.038 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: 2, replica: 8 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2509.661301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.661301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.661301 (E_RNA) where: Base-Base interactions energy: -1719.424 where: short stacking energy: -763.491 Base-Backbone interact. energy: -0.081 local terms energy: -790.156883 where: bonds (distance) C4'-P energy: -146.040 bonds (distance) P-C4' energy: -169.653 flat angles C4'-P-C4' energy: -167.517 flat angles P-C4'-P energy: -125.725 tors. eta vs tors. theta energy: -181.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2378.081167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.081167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.081167 (E_RNA) where: Base-Base interactions energy: -1640.061 where: short stacking energy: -744.261 Base-Backbone interact. energy: -1.523 local terms energy: -736.497634 where: bonds (distance) C4'-P energy: -150.980 bonds (distance) P-C4' energy: -131.066 flat angles C4'-P-C4' energy: -168.824 flat angles P-C4'-P energy: -112.769 tors. eta vs tors. theta energy: -172.859 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: 10 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2238.512559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.512559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.512559 (E_RNA) where: Base-Base interactions energy: -1500.068 where: short stacking energy: -705.769 Base-Backbone interact. energy: 2.328 local terms energy: -740.773282 where: bonds (distance) C4'-P energy: -132.020 bonds (distance) P-C4' energy: -159.236 flat angles C4'-P-C4' energy: -179.615 flat angles P-C4'-P energy: -85.178 tors. eta vs tors. theta energy: -184.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1969.757497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.757497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.757497 (E_RNA) where: Base-Base interactions energy: -1262.795 where: short stacking energy: -638.926 Base-Backbone interact. energy: -1.101 local terms energy: -705.861009 where: bonds (distance) C4'-P energy: -144.453 bonds (distance) P-C4' energy: -143.352 flat angles C4'-P-C4' energy: -174.091 flat angles P-C4'-P energy: -91.862 tors. eta vs tors. theta energy: -152.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1886.026955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.026955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.026955 (E_RNA) where: Base-Base interactions energy: -1251.018 where: short stacking energy: -568.478 Base-Backbone interact. energy: 2.305 local terms energy: -637.314120 where: bonds (distance) C4'-P energy: -141.334 bonds (distance) P-C4' energy: -149.178 flat angles C4'-P-C4' energy: -148.855 flat angles P-C4'-P energy: -95.613 tors. eta vs tors. theta energy: -102.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1759.939512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.939512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.939512 (E_RNA) where: Base-Base interactions energy: -1143.770 where: short stacking energy: -548.850 Base-Backbone interact. energy: -2.049 local terms energy: -614.120332 where: bonds (distance) C4'-P energy: -117.083 bonds (distance) P-C4' energy: -158.697 flat angles C4'-P-C4' energy: -135.276 flat angles P-C4'-P energy: -83.049 tors. eta vs tors. theta energy: -120.016 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: 3 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1491.616372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.616372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.616372 (E_RNA) where: Base-Base interactions energy: -943.302 where: short stacking energy: -461.694 Base-Backbone interact. energy: -2.547 local terms energy: -545.767592 where: bonds (distance) C4'-P energy: -122.447 bonds (distance) P-C4' energy: -131.641 flat angles C4'-P-C4' energy: -138.523 flat angles P-C4'-P energy: -75.688 tors. eta vs tors. theta energy: -77.469 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: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1295.145866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.145866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.145866 (E_RNA) where: Base-Base interactions energy: -808.803 where: short stacking energy: -369.122 Base-Backbone interact. energy: 0.139 local terms energy: -486.482169 where: bonds (distance) C4'-P energy: -114.256 bonds (distance) P-C4' energy: -126.249 flat angles C4'-P-C4' energy: -133.893 flat angles P-C4'-P energy: -65.896 tors. eta vs tors. theta energy: -46.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -1082.441601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.441601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.441601 (E_RNA) where: Base-Base interactions energy: -582.747 where: short stacking energy: -318.455 Base-Backbone interact. energy: 0.512 local terms energy: -500.206482 where: bonds (distance) C4'-P energy: -120.133 bonds (distance) P-C4' energy: -140.150 flat angles C4'-P-C4' energy: -135.238 flat angles P-C4'-P energy: -83.696 tors. eta vs tors. theta energy: -20.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2712.762839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.762839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.762839 (E_RNA) where: Base-Base interactions energy: -1910.350 where: short stacking energy: -844.098 Base-Backbone interact. energy: -2.377 local terms energy: -800.035993 where: bonds (distance) C4'-P energy: -134.204 bonds (distance) P-C4' energy: -165.417 flat angles C4'-P-C4' energy: -176.461 flat angles P-C4'-P energy: -113.058 tors. eta vs tors. theta energy: -210.896 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: 39 Temperature: 0.950000 Total energy: -2538.115874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.115874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.115874 (E_RNA) where: Base-Base interactions energy: -1720.255 where: short stacking energy: -775.648 Base-Backbone interact. energy: -3.998 local terms energy: -813.862609 where: bonds (distance) C4'-P energy: -159.994 bonds (distance) P-C4' energy: -162.999 flat angles C4'-P-C4' energy: -169.888 flat angles P-C4'-P energy: -124.981 tors. eta vs tors. theta energy: -196.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2438.974970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.974970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.974970 (E_RNA) where: Base-Base interactions energy: -1672.524 where: short stacking energy: -751.758 Base-Backbone interact. energy: -3.674 local terms energy: -762.777063 where: bonds (distance) C4'-P energy: -151.925 bonds (distance) P-C4' energy: -148.184 flat angles C4'-P-C4' energy: -164.238 flat angles P-C4'-P energy: -103.107 tors. eta vs tors. theta energy: -195.324 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: 4, replica: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2230.593819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.593819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.593819 (E_RNA) where: Base-Base interactions energy: -1506.845 where: short stacking energy: -690.024 Base-Backbone interact. energy: 4.034 local terms energy: -727.782424 where: bonds (distance) C4'-P energy: -149.357 bonds (distance) P-C4' energy: -148.738 flat angles C4'-P-C4' energy: -162.259 flat angles P-C4'-P energy: -99.320 tors. eta vs tors. theta energy: -168.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2016.526522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.526522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.526522 (E_RNA) where: Base-Base interactions energy: -1307.262 where: short stacking energy: -653.815 Base-Backbone interact. energy: 0.255 local terms energy: -709.519976 where: bonds (distance) C4'-P energy: -145.180 bonds (distance) P-C4' energy: -135.023 flat angles C4'-P-C4' energy: -158.672 flat angles P-C4'-P energy: -108.110 tors. eta vs tors. theta energy: -162.535 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: 4 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1856.838679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.838679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.838679 (E_RNA) where: Base-Base interactions energy: -1207.198 where: short stacking energy: -591.246 Base-Backbone interact. energy: -1.743 local terms energy: -647.898248 where: bonds (distance) C4'-P energy: -133.516 bonds (distance) P-C4' energy: -131.528 flat angles C4'-P-C4' energy: -139.564 flat angles P-C4'-P energy: -114.221 tors. eta vs tors. theta energy: -129.070 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: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1831.852283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.852283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.852283 (E_RNA) where: Base-Base interactions energy: -1203.199 where: short stacking energy: -564.504 Base-Backbone interact. energy: 1.624 local terms energy: -630.277230 where: bonds (distance) C4'-P energy: -136.914 bonds (distance) P-C4' energy: -153.749 flat angles C4'-P-C4' energy: -150.095 flat angles P-C4'-P energy: -72.910 tors. eta vs tors. theta energy: -116.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1483.580708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.580708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.580708 (E_RNA) where: Base-Base interactions energy: -944.858 where: short stacking energy: -497.638 Base-Backbone interact. energy: -0.783 local terms energy: -537.939999 where: bonds (distance) C4'-P energy: -132.813 bonds (distance) P-C4' energy: -88.935 flat angles C4'-P-C4' energy: -144.691 flat angles P-C4'-P energy: -90.102 tors. eta vs tors. theta energy: -81.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1378.874512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.874512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.874512 (E_RNA) where: Base-Base interactions energy: -824.999 where: short stacking energy: -393.338 Base-Backbone interact. energy: -2.351 local terms energy: -551.524171 where: bonds (distance) C4'-P energy: -137.994 bonds (distance) P-C4' energy: -140.732 flat angles C4'-P-C4' energy: -130.644 flat angles P-C4'-P energy: -87.942 tors. eta vs tors. theta energy: -54.212 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: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1097.595450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.595450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.595450 (E_RNA) where: Base-Base interactions energy: -662.732 where: short stacking energy: -330.832 Base-Backbone interact. energy: 4.682 local terms energy: -439.544673 where: bonds (distance) C4'-P energy: -123.857 bonds (distance) P-C4' energy: -125.197 flat angles C4'-P-C4' energy: -97.370 flat angles P-C4'-P energy: -65.840 tors. eta vs tors. theta energy: -27.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2694.114992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.114992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.114992 (E_RNA) where: Base-Base interactions energy: -1878.205 where: short stacking energy: -846.763 Base-Backbone interact. energy: -3.016 local terms energy: -812.893115 where: bonds (distance) C4'-P energy: -147.717 bonds (distance) P-C4' energy: -161.023 flat angles C4'-P-C4' energy: -187.949 flat angles P-C4'-P energy: -106.982 tors. eta vs tors. theta energy: -209.223 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: 2, replica: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2556.966575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.966575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.966575 (E_RNA) where: Base-Base interactions energy: -1737.879 where: short stacking energy: -785.467 Base-Backbone interact. energy: -3.035 local terms energy: -816.052084 where: bonds (distance) C4'-P energy: -165.351 bonds (distance) P-C4' energy: -155.506 flat angles C4'-P-C4' energy: -178.682 flat angles P-C4'-P energy: -126.130 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: 3, replica: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2392.859057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.859057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.859057 (E_RNA) where: Base-Base interactions energy: -1649.532 where: short stacking energy: -743.817 Base-Backbone interact. energy: -0.454 local terms energy: -742.873605 where: bonds (distance) C4'-P energy: -151.160 bonds (distance) P-C4' energy: -127.034 flat angles C4'-P-C4' energy: -168.688 flat angles P-C4'-P energy: -102.287 tors. eta vs tors. theta energy: -193.705 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: 10 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2246.613508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.613508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.613508 (E_RNA) where: Base-Base interactions energy: -1522.089 where: short stacking energy: -692.131 Base-Backbone interact. energy: -0.850 local terms energy: -723.675164 where: bonds (distance) C4'-P energy: -139.587 bonds (distance) P-C4' energy: -161.513 flat angles C4'-P-C4' energy: -166.134 flat angles P-C4'-P energy: -97.499 tors. eta vs tors. theta energy: -158.943 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: 40 Temperature: 1.100000 Total energy: -2003.405032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.405032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.405032 (E_RNA) where: Base-Base interactions energy: -1319.805 where: short stacking energy: -630.332 Base-Backbone interact. energy: -0.218 local terms energy: -683.381778 where: bonds (distance) C4'-P energy: -145.967 bonds (distance) P-C4' energy: -149.460 flat angles C4'-P-C4' energy: -143.123 flat angles P-C4'-P energy: -107.103 tors. eta vs tors. theta energy: -137.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1839.962921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.962921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.962921 (E_RNA) where: Base-Base interactions energy: -1182.356 where: short stacking energy: -570.565 Base-Backbone interact. energy: -3.347 local terms energy: -654.259643 where: bonds (distance) C4'-P energy: -126.412 bonds (distance) P-C4' energy: -148.876 flat angles C4'-P-C4' energy: -141.526 flat angles P-C4'-P energy: -106.143 tors. eta vs tors. theta energy: -131.301 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: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1773.195871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.195871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.195871 (E_RNA) where: Base-Base interactions energy: -1174.237 where: short stacking energy: -524.198 Base-Backbone interact. energy: -0.531 local terms energy: -598.427582 where: bonds (distance) C4'-P energy: -128.673 bonds (distance) P-C4' energy: -136.757 flat angles C4'-P-C4' energy: -145.376 flat angles P-C4'-P energy: -97.561 tors. eta vs tors. theta energy: -90.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1574.729159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.729159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.729159 (E_RNA) where: Base-Base interactions energy: -993.716 where: short stacking energy: -514.808 Base-Backbone interact. energy: -3.795 local terms energy: -577.218156 where: bonds (distance) C4'-P energy: -133.196 bonds (distance) P-C4' energy: -121.367 flat angles C4'-P-C4' energy: -135.590 flat angles P-C4'-P energy: -87.227 tors. eta vs tors. theta energy: -99.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1418.859481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.859481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.859481 (E_RNA) where: Base-Base interactions energy: -904.602 where: short stacking energy: -441.056 Base-Backbone interact. energy: -3.679 local terms energy: -510.578494 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -127.784 flat angles C4'-P-C4' energy: -120.886 flat angles P-C4'-P energy: -58.591 tors. eta vs tors. theta energy: -78.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1114.213199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.213199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.213199 (E_RNA) where: Base-Base interactions energy: -663.472 where: short stacking energy: -344.607 Base-Backbone interact. energy: -1.784 local terms energy: -448.957494 where: bonds (distance) C4'-P energy: -109.954 bonds (distance) P-C4' energy: -90.961 flat angles C4'-P-C4' energy: -118.726 flat angles P-C4'-P energy: -83.650 tors. eta vs tors. theta energy: -45.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2698.898545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.898545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.898545 (E_RNA) where: Base-Base interactions energy: -1836.597 where: short stacking energy: -812.747 Base-Backbone interact. energy: -2.785 local terms energy: -859.516850 where: bonds (distance) C4'-P energy: -167.755 bonds (distance) P-C4' energy: -168.254 flat angles C4'-P-C4' energy: -183.648 flat angles P-C4'-P energy: -119.812 tors. eta vs tors. theta energy: -220.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2509.003577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.003577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.003577 (E_RNA) where: Base-Base interactions energy: -1719.648 where: short stacking energy: -780.068 Base-Backbone interact. energy: -3.315 local terms energy: -786.040196 where: bonds (distance) C4'-P energy: -155.592 bonds (distance) P-C4' energy: -165.260 flat angles C4'-P-C4' energy: -168.048 flat angles P-C4'-P energy: -114.753 tors. eta vs tors. theta energy: -182.388 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: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2484.117150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.117150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.117150 (E_RNA) where: Base-Base interactions energy: -1682.474 where: short stacking energy: -754.538 Base-Backbone interact. energy: -2.688 local terms energy: -798.954566 where: bonds (distance) C4'-P energy: -164.048 bonds (distance) P-C4' energy: -144.899 flat angles C4'-P-C4' energy: -180.889 flat angles P-C4'-P energy: -112.066 tors. eta vs tors. theta energy: -197.052 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: 41 Temperature: 1.050000 Total energy: -2210.018428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.018428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.018428 (E_RNA) where: Base-Base interactions energy: -1483.891 where: short stacking energy: -678.728 Base-Backbone interact. energy: -1.938 local terms energy: -724.189829 where: bonds (distance) C4'-P energy: -141.629 bonds (distance) P-C4' energy: -155.975 flat angles C4'-P-C4' energy: -161.860 flat angles P-C4'-P energy: -106.469 tors. eta vs tors. theta energy: -158.257 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: 5, replica: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2140.721242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.721242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.721242 (E_RNA) where: Base-Base interactions energy: -1396.620 where: short stacking energy: -681.910 Base-Backbone interact. energy: -2.945 local terms energy: -741.155898 where: bonds (distance) C4'-P energy: -145.365 bonds (distance) P-C4' energy: -149.802 flat angles C4'-P-C4' energy: -158.776 flat angles P-C4'-P energy: -104.781 tors. eta vs tors. theta energy: -182.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1909.773388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.773388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.773388 (E_RNA) where: Base-Base interactions energy: -1252.348 where: short stacking energy: -605.022 Base-Backbone interact. energy: -2.681 local terms energy: -654.745205 where: bonds (distance) C4'-P energy: -115.586 bonds (distance) P-C4' energy: -130.444 flat angles C4'-P-C4' energy: -165.275 flat angles P-C4'-P energy: -100.469 tors. eta vs tors. theta energy: -142.970 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: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1700.809705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.809705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.809705 (E_RNA) where: Base-Base interactions energy: -1114.265 where: short stacking energy: -545.269 Base-Backbone interact. energy: -1.319 local terms energy: -585.226151 where: bonds (distance) C4'-P energy: -119.341 bonds (distance) P-C4' energy: -132.648 flat angles C4'-P-C4' energy: -126.999 flat angles P-C4'-P energy: -101.059 tors. eta vs tors. theta energy: -105.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1547.200050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.200050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.200050 (E_RNA) where: Base-Base interactions energy: -969.346 where: short stacking energy: -449.712 Base-Backbone interact. energy: -3.295 local terms energy: -574.559089 where: bonds (distance) C4'-P energy: -123.553 bonds (distance) P-C4' energy: -136.529 flat angles C4'-P-C4' energy: -139.830 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -86.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1431.236777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.236777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.236777 (E_RNA) where: Base-Base interactions energy: -912.179 where: short stacking energy: -431.321 Base-Backbone interact. energy: -2.007 local terms energy: -517.050598 where: bonds (distance) C4'-P energy: -110.746 bonds (distance) P-C4' energy: -132.849 flat angles C4'-P-C4' energy: -125.334 flat angles P-C4'-P energy: -79.212 tors. eta vs tors. theta energy: -68.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1184.732692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.732692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.732692 (E_RNA) where: Base-Base interactions energy: -695.100 where: short stacking energy: -331.737 Base-Backbone interact. energy: 5.253 local terms energy: -494.885356 where: bonds (distance) C4'-P energy: -129.468 bonds (distance) P-C4' energy: -144.083 flat angles C4'-P-C4' energy: -121.499 flat angles P-C4'-P energy: -68.152 tors. eta vs tors. theta energy: -31.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2667.278970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.278970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.278970 (E_RNA) where: Base-Base interactions energy: -1862.534 where: short stacking energy: -821.343 Base-Backbone interact. energy: -2.298 local terms energy: -802.446549 where: bonds (distance) C4'-P energy: -154.476 bonds (distance) P-C4' energy: -155.624 flat angles C4'-P-C4' energy: -169.123 flat angles P-C4'-P energy: -114.537 tors. eta vs tors. theta energy: -208.686 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: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2509.157829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.157829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.157829 (E_RNA) where: Base-Base interactions energy: -1718.460 where: short stacking energy: -776.118 Base-Backbone interact. energy: 4.398 local terms energy: -795.095520 where: bonds (distance) C4'-P energy: -148.985 bonds (distance) P-C4' energy: -166.631 flat angles C4'-P-C4' energy: -174.006 flat angles P-C4'-P energy: -119.320 tors. eta vs tors. theta energy: -186.154 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: 6 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2454.648420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.648420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.648420 (E_RNA) where: Base-Base interactions energy: -1684.817 where: short stacking energy: -758.271 Base-Backbone interact. energy: -3.233 local terms energy: -766.598015 where: bonds (distance) C4'-P energy: -144.523 bonds (distance) P-C4' energy: -166.316 flat angles C4'-P-C4' energy: -161.121 flat angles P-C4'-P energy: -102.575 tors. eta vs tors. theta energy: -192.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2153.791365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.791365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.791365 (E_RNA) where: Base-Base interactions energy: -1425.512 where: short stacking energy: -674.306 Base-Backbone interact. energy: -0.862 local terms energy: -727.417076 where: bonds (distance) C4'-P energy: -132.231 bonds (distance) P-C4' energy: -153.018 flat angles C4'-P-C4' energy: -174.170 flat angles P-C4'-P energy: -103.312 tors. eta vs tors. theta energy: -164.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2096.016137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.016137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.016137 (E_RNA) where: Base-Base interactions energy: -1376.836 where: short stacking energy: -671.886 Base-Backbone interact. energy: -1.686 local terms energy: -717.493928 where: bonds (distance) C4'-P energy: -137.032 bonds (distance) P-C4' energy: -155.925 flat angles C4'-P-C4' energy: -154.380 flat angles P-C4'-P energy: -102.766 tors. eta vs tors. theta energy: -167.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1829.257166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.257166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.257166 (E_RNA) where: Base-Base interactions energy: -1153.403 where: short stacking energy: -579.074 Base-Backbone interact. energy: -2.205 local terms energy: -673.650015 where: bonds (distance) C4'-P energy: -134.076 bonds (distance) P-C4' energy: -148.398 flat angles C4'-P-C4' energy: -162.797 flat angles P-C4'-P energy: -89.171 tors. eta vs tors. theta energy: -139.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1669.128819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.128819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.128819 (E_RNA) where: Base-Base interactions energy: -1029.466 where: short stacking energy: -491.908 Base-Backbone interact. energy: 2.855 local terms energy: -642.517735 where: bonds (distance) C4'-P energy: -136.153 bonds (distance) P-C4' energy: -128.091 flat angles C4'-P-C4' energy: -162.866 flat angles P-C4'-P energy: -106.485 tors. eta vs tors. theta energy: -108.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1567.661807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.661807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.661807 (E_RNA) where: Base-Base interactions energy: -985.561 where: short stacking energy: -455.025 Base-Backbone interact. energy: 0.457 local terms energy: -582.557752 where: bonds (distance) C4'-P energy: -137.595 bonds (distance) P-C4' energy: -144.781 flat angles C4'-P-C4' energy: -133.977 flat angles P-C4'-P energy: -93.689 tors. eta vs tors. theta energy: -72.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1534.165863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.165863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.165863 (E_RNA) where: Base-Base interactions energy: -969.722 where: short stacking energy: -478.728 Base-Backbone interact. energy: 3.137 local terms energy: -567.581245 where: bonds (distance) C4'-P energy: -122.037 bonds (distance) P-C4' energy: -139.349 flat angles C4'-P-C4' energy: -130.540 flat angles P-C4'-P energy: -90.248 tors. eta vs tors. theta energy: -85.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1114.781830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.781830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.781830 (E_RNA) where: Base-Base interactions energy: -653.628 where: short stacking energy: -345.104 Base-Backbone interact. energy: -0.042 local terms energy: -461.112100 where: bonds (distance) C4'-P energy: -116.600 bonds (distance) P-C4' energy: -137.953 flat angles C4'-P-C4' energy: -116.793 flat angles P-C4'-P energy: -62.001 tors. eta vs tors. theta energy: -27.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2687.463781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.463781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.463781 (E_RNA) where: Base-Base interactions energy: -1844.609 where: short stacking energy: -799.149 Base-Backbone interact. energy: 2.122 local terms energy: -844.977150 where: bonds (distance) C4'-P energy: -169.278 bonds (distance) P-C4' energy: -169.416 flat angles C4'-P-C4' energy: -198.425 flat angles P-C4'-P energy: -115.878 tors. eta vs tors. theta energy: -191.980 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: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2561.328726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.328726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.328726 (E_RNA) where: Base-Base interactions energy: -1758.583 where: short stacking energy: -783.985 Base-Backbone interact. energy: -0.191 local terms energy: -802.553955 where: bonds (distance) C4'-P energy: -141.355 bonds (distance) P-C4' energy: -162.067 flat angles C4'-P-C4' energy: -171.955 flat angles P-C4'-P energy: -114.929 tors. eta vs tors. theta energy: -212.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2444.620894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.620894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.620894 (E_RNA) where: Base-Base interactions energy: -1658.486 where: short stacking energy: -782.006 Base-Backbone interact. energy: -2.148 local terms energy: -783.987169 where: bonds (distance) C4'-P energy: -165.598 bonds (distance) P-C4' energy: -146.718 flat angles C4'-P-C4' energy: -169.255 flat angles P-C4'-P energy: -117.316 tors. eta vs tors. theta energy: -185.100 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: 10 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2183.632363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.632363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.632363 (E_RNA) where: Base-Base interactions energy: -1469.739 where: short stacking energy: -663.038 Base-Backbone interact. energy: -0.998 local terms energy: -712.895245 where: bonds (distance) C4'-P energy: -145.220 bonds (distance) P-C4' energy: -143.722 flat angles C4'-P-C4' energy: -153.407 flat angles P-C4'-P energy: -111.472 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: 5, replica: 7 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2082.515281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.515281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.515281 (E_RNA) where: Base-Base interactions energy: -1398.963 where: short stacking energy: -650.791 Base-Backbone interact. energy: -2.867 local terms energy: -680.685177 where: bonds (distance) C4'-P energy: -127.898 bonds (distance) P-C4' energy: -156.293 flat angles C4'-P-C4' energy: -134.870 flat angles P-C4'-P energy: -99.734 tors. eta vs tors. theta energy: -161.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1844.114273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.114273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.114273 (E_RNA) where: Base-Base interactions energy: -1214.037 where: short stacking energy: -620.654 Base-Backbone interact. energy: 0.406 local terms energy: -630.483267 where: bonds (distance) C4'-P energy: -106.580 bonds (distance) P-C4' energy: -143.668 flat angles C4'-P-C4' energy: -143.295 flat angles P-C4'-P energy: -95.631 tors. eta vs tors. theta energy: -141.309 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: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1720.949640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.949640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.949640 (E_RNA) where: Base-Base interactions energy: -1155.844 where: short stacking energy: -521.736 Base-Backbone interact. energy: -4.183 local terms energy: -560.922262 where: bonds (distance) C4'-P energy: -129.044 bonds (distance) P-C4' energy: -130.682 flat angles C4'-P-C4' energy: -145.683 flat angles P-C4'-P energy: -72.041 tors. eta vs tors. theta energy: -83.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1566.598980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.598980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.598980 (E_RNA) where: Base-Base interactions energy: -1018.289 where: short stacking energy: -490.800 Base-Backbone interact. energy: -1.937 local terms energy: -546.373068 where: bonds (distance) C4'-P energy: -111.609 bonds (distance) P-C4' energy: -129.379 flat angles C4'-P-C4' energy: -125.640 flat angles P-C4'-P energy: -95.052 tors. eta vs tors. theta energy: -84.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1600.421462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.421462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.421462 (E_RNA) where: Base-Base interactions energy: -1035.875 where: short stacking energy: -480.227 Base-Backbone interact. energy: 2.958 local terms energy: -567.504558 where: bonds (distance) C4'-P energy: -118.813 bonds (distance) P-C4' energy: -152.207 flat angles C4'-P-C4' energy: -136.231 flat angles P-C4'-P energy: -63.157 tors. eta vs tors. theta energy: -97.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1115.359036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.359036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.359036 (E_RNA) where: Base-Base interactions energy: -650.944 where: short stacking energy: -360.228 Base-Backbone interact. energy: -0.725 local terms energy: -463.690661 where: bonds (distance) C4'-P energy: -113.224 bonds (distance) P-C4' energy: -125.255 flat angles C4'-P-C4' energy: -133.815 flat angles P-C4'-P energy: -70.096 tors. eta vs tors. theta energy: -21.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2715.843938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.843938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.843938 (E_RNA) where: Base-Base interactions energy: -1880.139 where: short stacking energy: -833.657 Base-Backbone interact. energy: -3.231 local terms energy: -832.474160 where: bonds (distance) C4'-P energy: -153.214 bonds (distance) P-C4' energy: -161.372 flat angles C4'-P-C4' energy: -178.979 flat angles P-C4'-P energy: -130.696 tors. eta vs tors. theta energy: -208.213 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: 2, replica: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2583.430920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.430920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.430920 (E_RNA) where: Base-Base interactions energy: -1754.301 where: short stacking energy: -784.550 Base-Backbone interact. energy: -4.055 local terms energy: -825.074514 where: bonds (distance) C4'-P energy: -151.831 bonds (distance) P-C4' energy: -169.794 flat angles C4'-P-C4' energy: -186.350 flat angles P-C4'-P energy: -113.712 tors. eta vs tors. theta energy: -203.389 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: 6 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2458.316899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.316899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.316899 (E_RNA) where: Base-Base interactions energy: -1677.323 where: short stacking energy: -779.733 Base-Backbone interact. energy: 4.286 local terms energy: -785.279873 where: bonds (distance) C4'-P energy: -156.599 bonds (distance) P-C4' energy: -162.468 flat angles C4'-P-C4' energy: -164.511 flat angles P-C4'-P energy: -109.291 tors. eta vs tors. theta energy: -192.410 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: 44 Temperature: 1.050000 Total energy: -2186.279383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.279383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.279383 (E_RNA) where: Base-Base interactions energy: -1502.024 where: short stacking energy: -666.029 Base-Backbone interact. energy: 0.487 local terms energy: -684.742512 where: bonds (distance) C4'-P energy: -145.149 bonds (distance) P-C4' energy: -146.988 flat angles C4'-P-C4' energy: -157.349 flat angles P-C4'-P energy: -92.918 tors. eta vs tors. theta energy: -142.338 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: 7 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2120.803659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.803659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.803659 (E_RNA) where: Base-Base interactions energy: -1436.935 where: short stacking energy: -720.001 Base-Backbone interact. energy: 2.034 local terms energy: -685.902168 where: bonds (distance) C4'-P energy: -127.404 bonds (distance) P-C4' energy: -117.949 flat angles C4'-P-C4' energy: -163.519 flat angles P-C4'-P energy: -78.269 tors. eta vs tors. theta energy: -198.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1844.695186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.695186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.695186 (E_RNA) where: Base-Base interactions energy: -1217.265 where: short stacking energy: -588.211 Base-Backbone interact. energy: -3.596 local terms energy: -623.834389 where: bonds (distance) C4'-P energy: -130.361 bonds (distance) P-C4' energy: -137.077 flat angles C4'-P-C4' energy: -138.099 flat angles P-C4'-P energy: -92.422 tors. eta vs tors. theta energy: -125.875 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: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1671.132944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.132944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.132944 (E_RNA) where: Base-Base interactions energy: -1112.573 where: short stacking energy: -501.489 Base-Backbone interact. energy: 2.636 local terms energy: -561.196365 where: bonds (distance) C4'-P energy: -119.749 bonds (distance) P-C4' energy: -147.476 flat angles C4'-P-C4' energy: -131.444 flat angles P-C4'-P energy: -80.927 tors. eta vs tors. theta energy: -81.601 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: 3 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1600.788003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.788003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.788003 (E_RNA) where: Base-Base interactions energy: -1006.493 where: short stacking energy: -470.208 Base-Backbone interact. energy: -0.131 local terms energy: -594.164023 where: bonds (distance) C4'-P energy: -144.296 bonds (distance) P-C4' energy: -138.569 flat angles C4'-P-C4' energy: -132.847 flat angles P-C4'-P energy: -93.259 tors. eta vs tors. theta energy: -85.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1581.139666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.139666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.139666 (E_RNA) where: Base-Base interactions energy: -1039.500 where: short stacking energy: -466.059 Base-Backbone interact. energy: 0.806 local terms energy: -542.445935 where: bonds (distance) C4'-P energy: -121.372 bonds (distance) P-C4' energy: -135.356 flat angles C4'-P-C4' energy: -140.460 flat angles P-C4'-P energy: -86.521 tors. eta vs tors. theta energy: -58.737 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: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -1053.874460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.874460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.874460 (E_RNA) where: Base-Base interactions energy: -579.879 where: short stacking energy: -320.500 Base-Backbone interact. energy: 1.937 local terms energy: -475.932682 where: bonds (distance) C4'-P energy: -125.206 bonds (distance) P-C4' energy: -130.277 flat angles C4'-P-C4' energy: -125.303 flat angles P-C4'-P energy: -61.778 tors. eta vs tors. theta energy: -33.368 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: 45 Temperature: 0.900000 Total energy: -2717.619994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.619994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.619994 (E_RNA) where: Base-Base interactions energy: -1889.857 where: short stacking energy: -837.099 Base-Backbone interact. energy: 2.377 local terms energy: -830.139856 where: bonds (distance) C4'-P energy: -164.742 bonds (distance) P-C4' energy: -156.437 flat angles C4'-P-C4' energy: -179.744 flat angles P-C4'-P energy: -118.955 tors. eta vs tors. theta energy: -210.261 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: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2580.929126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.929126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.929126 (E_RNA) where: Base-Base interactions energy: -1782.907 where: short stacking energy: -819.867 Base-Backbone interact. energy: 0.315 local terms energy: -798.337490 where: bonds (distance) C4'-P energy: -152.822 bonds (distance) P-C4' energy: -145.546 flat angles C4'-P-C4' energy: -187.472 flat angles P-C4'-P energy: -114.801 tors. eta vs tors. theta energy: -197.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2406.299263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.299263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.299263 (E_RNA) where: Base-Base interactions energy: -1641.283 where: short stacking energy: -736.931 Base-Backbone interact. energy: 3.021 local terms energy: -768.037388 where: bonds (distance) C4'-P energy: -163.323 bonds (distance) P-C4' energy: -157.517 flat angles C4'-P-C4' energy: -171.982 flat angles P-C4'-P energy: -88.659 tors. eta vs tors. theta energy: -186.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2249.356229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.356229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.356229 (E_RNA) where: Base-Base interactions energy: -1514.043 where: short stacking energy: -670.941 Base-Backbone interact. energy: -2.007 local terms energy: -733.306495 where: bonds (distance) C4'-P energy: -138.063 bonds (distance) P-C4' energy: -168.263 flat angles C4'-P-C4' energy: -169.121 flat angles P-C4'-P energy: -86.135 tors. eta vs tors. theta energy: -171.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2086.585117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.585117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.585117 (E_RNA) where: Base-Base interactions energy: -1386.852 where: short stacking energy: -690.170 Base-Backbone interact. energy: -1.549 local terms energy: -698.183481 where: bonds (distance) C4'-P energy: -146.170 bonds (distance) P-C4' energy: -135.920 flat angles C4'-P-C4' energy: -146.962 flat angles P-C4'-P energy: -99.516 tors. eta vs tors. theta energy: -169.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1852.691108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.691108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.691108 (E_RNA) where: Base-Base interactions energy: -1199.405 where: short stacking energy: -561.187 Base-Backbone interact. energy: -2.965 local terms energy: -650.321000 where: bonds (distance) C4'-P energy: -140.014 bonds (distance) P-C4' energy: -144.664 flat angles C4'-P-C4' energy: -151.381 flat angles P-C4'-P energy: -93.375 tors. eta vs tors. theta energy: -120.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1654.088649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.088649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.088649 (E_RNA) where: Base-Base interactions energy: -1072.839 where: short stacking energy: -488.462 Base-Backbone interact. energy: -2.813 local terms energy: -578.436199 where: bonds (distance) C4'-P energy: -152.740 bonds (distance) P-C4' energy: -127.333 flat angles C4'-P-C4' energy: -135.754 flat angles P-C4'-P energy: -79.387 tors. eta vs tors. theta energy: -83.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1638.031865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.031865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.031865 (E_RNA) where: Base-Base interactions energy: -1072.682 where: short stacking energy: -490.767 Base-Backbone interact. energy: -0.977 local terms energy: -564.372348 where: bonds (distance) C4'-P energy: -121.112 bonds (distance) P-C4' energy: -122.837 flat angles C4'-P-C4' energy: -141.625 flat angles P-C4'-P energy: -81.793 tors. eta vs tors. theta energy: -97.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1542.880356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.880356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.880356 (E_RNA) where: Base-Base interactions energy: -998.875 where: short stacking energy: -444.424 Base-Backbone interact. energy: -0.568 local terms energy: -543.436697 where: bonds (distance) C4'-P energy: -135.121 bonds (distance) P-C4' energy: -134.941 flat angles C4'-P-C4' energy: -126.664 flat angles P-C4'-P energy: -62.832 tors. eta vs tors. theta energy: -83.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1050.328442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.328442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.328442 (E_RNA) where: Base-Base interactions energy: -618.412 where: short stacking energy: -326.133 Base-Backbone interact. energy: -1.273 local terms energy: -430.644149 where: bonds (distance) C4'-P energy: -114.597 bonds (distance) P-C4' energy: -122.148 flat angles C4'-P-C4' energy: -124.969 flat angles P-C4'-P energy: -67.936 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2695.120453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.120453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.120453 (E_RNA) where: Base-Base interactions energy: -1853.686 where: short stacking energy: -781.273 Base-Backbone interact. energy: -3.878 local terms energy: -837.555681 where: bonds (distance) C4'-P energy: -160.776 bonds (distance) P-C4' energy: -165.852 flat angles C4'-P-C4' energy: -176.977 flat angles P-C4'-P energy: -131.999 tors. eta vs tors. theta energy: -201.951 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: 2, replica: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2602.498811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.498811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.498811 (E_RNA) where: Base-Base interactions energy: -1811.112 where: short stacking energy: -796.040 Base-Backbone interact. energy: -1.697 local terms energy: -789.689715 where: bonds (distance) C4'-P energy: -150.185 bonds (distance) P-C4' energy: -149.866 flat angles C4'-P-C4' energy: -178.014 flat angles P-C4'-P energy: -105.377 tors. eta vs tors. theta energy: -206.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2403.172534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.172534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.172534 (E_RNA) where: Base-Base interactions energy: -1632.746 where: short stacking energy: -726.617 Base-Backbone interact. energy: 5.011 local terms energy: -775.438109 where: bonds (distance) C4'-P energy: -150.564 bonds (distance) P-C4' energy: -156.102 flat angles C4'-P-C4' energy: -166.651 flat angles P-C4'-P energy: -111.507 tors. eta vs tors. theta energy: -190.614 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: 10 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2229.527526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.527526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.527526 (E_RNA) where: Base-Base interactions energy: -1512.533 where: short stacking energy: -702.328 Base-Backbone interact. energy: 4.477 local terms energy: -721.471903 where: bonds (distance) C4'-P energy: -142.647 bonds (distance) P-C4' energy: -150.694 flat angles C4'-P-C4' energy: -157.741 flat angles P-C4'-P energy: -105.721 tors. eta vs tors. theta energy: -164.668 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: 7 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2131.936492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.936492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.936492 (E_RNA) where: Base-Base interactions energy: -1413.845 where: short stacking energy: -666.288 Base-Backbone interact. energy: -0.476 local terms energy: -717.616027 where: bonds (distance) C4'-P energy: -119.857 bonds (distance) P-C4' energy: -174.117 flat angles C4'-P-C4' energy: -150.059 flat angles P-C4'-P energy: -106.154 tors. eta vs tors. theta energy: -167.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1924.316270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.316270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.316270 (E_RNA) where: Base-Base interactions energy: -1302.276 where: short stacking energy: -631.246 Base-Backbone interact. energy: 0.729 local terms energy: -622.768980 where: bonds (distance) C4'-P energy: -121.606 bonds (distance) P-C4' energy: -137.293 flat angles C4'-P-C4' energy: -143.373 flat angles P-C4'-P energy: -89.653 tors. eta vs tors. theta energy: -130.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1769.013301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.013301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.013301 (E_RNA) where: Base-Base interactions energy: -1158.489 where: short stacking energy: -543.531 Base-Backbone interact. energy: -2.760 local terms energy: -607.763491 where: bonds (distance) C4'-P energy: -109.544 bonds (distance) P-C4' energy: -117.733 flat angles C4'-P-C4' energy: -154.971 flat angles P-C4'-P energy: -110.648 tors. eta vs tors. theta energy: -114.867 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: 46 Temperature: 1.250000 Total energy: -1593.278035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.278035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.278035 (E_RNA) where: Base-Base interactions energy: -1053.481 where: short stacking energy: -505.106 Base-Backbone interact. energy: 3.835 local terms energy: -543.631536 where: bonds (distance) C4'-P energy: -130.873 bonds (distance) P-C4' energy: -137.208 flat angles C4'-P-C4' energy: -137.425 flat angles P-C4'-P energy: -56.047 tors. eta vs tors. theta energy: -82.078 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: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1612.146394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.146394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.146394 (E_RNA) where: Base-Base interactions energy: -1068.836 where: short stacking energy: -478.765 Base-Backbone interact. energy: 7.740 local terms energy: -551.050721 where: bonds (distance) C4'-P energy: -127.865 bonds (distance) P-C4' energy: -124.766 flat angles C4'-P-C4' energy: -130.205 flat angles P-C4'-P energy: -68.525 tors. eta vs tors. theta energy: -99.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -1073.218993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.218993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.218993 (E_RNA) where: Base-Base interactions energy: -653.057 where: short stacking energy: -337.784 Base-Backbone interact. energy: 3.117 local terms energy: -423.278996 where: bonds (distance) C4'-P energy: -100.963 bonds (distance) P-C4' energy: -125.110 flat angles C4'-P-C4' energy: -123.250 flat angles P-C4'-P energy: -49.633 tors. eta vs tors. theta energy: -24.323 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: 2 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2692.415486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.415486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.415486 (E_RNA) where: Base-Base interactions energy: -1856.276 where: short stacking energy: -793.394 Base-Backbone interact. energy: -7.046 local terms energy: -829.093722 where: bonds (distance) C4'-P energy: -167.775 bonds (distance) P-C4' energy: -170.615 flat angles C4'-P-C4' energy: -174.346 flat angles P-C4'-P energy: -118.495 tors. eta vs tors. theta energy: -197.863 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: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2615.488758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.488758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.488758 (E_RNA) where: Base-Base interactions energy: -1829.687 where: short stacking energy: -811.942 Base-Backbone interact. energy: 0.736 local terms energy: -786.537919 where: bonds (distance) C4'-P energy: -161.072 bonds (distance) P-C4' energy: -158.771 flat angles C4'-P-C4' energy: -177.520 flat angles P-C4'-P energy: -94.907 tors. eta vs tors. theta energy: -194.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2432.122894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.122894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.122894 (E_RNA) where: Base-Base interactions energy: -1683.785 where: short stacking energy: -728.530 Base-Backbone interact. energy: -3.081 local terms energy: -745.256823 where: bonds (distance) C4'-P energy: -141.860 bonds (distance) P-C4' energy: -154.836 flat angles C4'-P-C4' energy: -169.681 flat angles P-C4'-P energy: -108.525 tors. eta vs tors. theta energy: -170.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2244.252003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.252003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.252003 (E_RNA) where: Base-Base interactions energy: -1515.636 where: short stacking energy: -682.723 Base-Backbone interact. energy: -2.624 local terms energy: -725.992192 where: bonds (distance) C4'-P energy: -135.323 bonds (distance) P-C4' energy: -156.687 flat angles C4'-P-C4' energy: -170.956 flat angles P-C4'-P energy: -97.613 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: 5, replica: 7 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2125.942444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.942444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.942444 (E_RNA) where: Base-Base interactions energy: -1438.280 where: short stacking energy: -670.102 Base-Backbone interact. energy: -2.492 local terms energy: -685.170627 where: bonds (distance) C4'-P energy: -108.685 bonds (distance) P-C4' energy: -156.448 flat angles C4'-P-C4' energy: -158.587 flat angles P-C4'-P energy: -94.837 tors. eta vs tors. theta energy: -166.613 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: 4 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1936.731998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.731998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.731998 (E_RNA) where: Base-Base interactions energy: -1273.485 where: short stacking energy: -603.144 Base-Backbone interact. energy: -4.838 local terms energy: -658.408899 where: bonds (distance) C4'-P energy: -131.781 bonds (distance) P-C4' energy: -140.945 flat angles C4'-P-C4' energy: -154.533 flat angles P-C4'-P energy: -94.057 tors. eta vs tors. theta energy: -137.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1777.862092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.862092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.862092 (E_RNA) where: Base-Base interactions energy: -1171.518 where: short stacking energy: -542.601 Base-Backbone interact. energy: 0.075 local terms energy: -606.419102 where: bonds (distance) C4'-P energy: -129.259 bonds (distance) P-C4' energy: -140.750 flat angles C4'-P-C4' energy: -135.641 flat angles P-C4'-P energy: -89.294 tors. eta vs tors. theta energy: -111.475 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: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1597.413321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.413321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.413321 (E_RNA) where: Base-Base interactions energy: -1049.881 where: short stacking energy: -475.228 Base-Backbone interact. energy: 0.041 local terms energy: -547.572708 where: bonds (distance) C4'-P energy: -124.302 bonds (distance) P-C4' energy: -136.285 flat angles C4'-P-C4' energy: -141.295 flat angles P-C4'-P energy: -67.690 tors. eta vs tors. theta energy: -78.000 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: 47 Temperature: 1.300000 Total energy: -1602.603401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.603401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.603401 (E_RNA) where: Base-Base interactions energy: -1038.112 where: short stacking energy: -477.831 Base-Backbone interact. energy: -1.371 local terms energy: -563.120841 where: bonds (distance) C4'-P energy: -135.471 bonds (distance) P-C4' energy: -112.642 flat angles C4'-P-C4' energy: -147.037 flat angles P-C4'-P energy: -77.413 tors. eta vs tors. theta energy: -90.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1134.959055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.959055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.959055 (E_RNA) where: Base-Base interactions energy: -686.974 where: short stacking energy: -313.670 Base-Backbone interact. energy: 1.323 local terms energy: -449.308030 where: bonds (distance) C4'-P energy: -115.998 bonds (distance) P-C4' energy: -144.825 flat angles C4'-P-C4' energy: -102.701 flat angles P-C4'-P energy: -74.089 tors. eta vs tors. theta energy: -11.695 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: 48 Temperature: 0.900000 Total energy: -2670.393749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.393749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.393749 (E_RNA) where: Base-Base interactions energy: -1828.228 where: short stacking energy: -770.237 Base-Backbone interact. energy: -3.162 local terms energy: -839.003487 where: bonds (distance) C4'-P energy: -155.923 bonds (distance) P-C4' energy: -176.073 flat angles C4'-P-C4' energy: -180.805 flat angles P-C4'-P energy: -124.666 tors. eta vs tors. theta energy: -201.536 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: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2598.757930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.757930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.757930 (E_RNA) where: Base-Base interactions energy: -1779.766 where: short stacking energy: -771.172 Base-Backbone interact. energy: 3.733 local terms energy: -822.725083 where: bonds (distance) C4'-P energy: -173.692 bonds (distance) P-C4' energy: -168.528 flat angles C4'-P-C4' energy: -182.986 flat angles P-C4'-P energy: -103.928 tors. eta vs tors. theta energy: -193.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2452.290850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.290850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.290850 (E_RNA) where: Base-Base interactions energy: -1673.694 where: short stacking energy: -742.087 Base-Backbone interact. energy: -5.330 local terms energy: -773.266296 where: bonds (distance) C4'-P energy: -159.098 bonds (distance) P-C4' energy: -150.680 flat angles C4'-P-C4' energy: -162.743 flat angles P-C4'-P energy: -107.162 tors. eta vs tors. theta energy: -193.584 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: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2253.919986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.919986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.919986 (E_RNA) where: Base-Base interactions energy: -1506.422 where: short stacking energy: -694.058 Base-Backbone interact. energy: -0.511 local terms energy: -746.986455 where: bonds (distance) C4'-P energy: -144.460 bonds (distance) P-C4' energy: -161.264 flat angles C4'-P-C4' energy: -175.535 flat angles P-C4'-P energy: -102.874 tors. eta vs tors. theta energy: -162.853 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: 48 Temperature: 1.100000 Total energy: -2190.113140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.113140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.113140 (E_RNA) where: Base-Base interactions energy: -1471.589 where: short stacking energy: -702.933 Base-Backbone interact. energy: -3.203 local terms energy: -715.321637 where: bonds (distance) C4'-P energy: -130.977 bonds (distance) P-C4' energy: -137.242 flat angles C4'-P-C4' energy: -151.013 flat angles P-C4'-P energy: -118.120 tors. eta vs tors. theta energy: -177.971 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: 6, replica: 4 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1973.974874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.974874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.974874 (E_RNA) where: Base-Base interactions energy: -1280.803 where: short stacking energy: -607.555 Base-Backbone interact. energy: 0.188 local terms energy: -693.359868 where: bonds (distance) C4'-P energy: -144.373 bonds (distance) P-C4' energy: -152.994 flat angles C4'-P-C4' energy: -159.449 flat angles P-C4'-P energy: -95.263 tors. eta vs tors. theta energy: -141.282 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: 7, replica: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1789.653727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.653727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.653727 (E_RNA) where: Base-Base interactions energy: -1124.901 where: short stacking energy: -546.234 Base-Backbone interact. energy: 1.783 local terms energy: -666.535143 where: bonds (distance) C4'-P energy: -148.087 bonds (distance) P-C4' energy: -154.799 flat angles C4'-P-C4' energy: -157.151 flat angles P-C4'-P energy: -92.475 tors. eta vs tors. theta energy: -114.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1594.721786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.721786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.721786 (E_RNA) where: Base-Base interactions energy: -1061.749 where: short stacking energy: -487.356 Base-Backbone interact. energy: 0.854 local terms energy: -533.827171 where: bonds (distance) C4'-P energy: -117.724 bonds (distance) P-C4' energy: -137.533 flat angles C4'-P-C4' energy: -130.474 flat angles P-C4'-P energy: -64.346 tors. eta vs tors. theta energy: -83.751 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: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1486.156856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.156856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.156856 (E_RNA) where: Base-Base interactions energy: -957.086 where: short stacking energy: -434.033 Base-Backbone interact. energy: 9.816 local terms energy: -538.886601 where: bonds (distance) C4'-P energy: -146.113 bonds (distance) P-C4' energy: -111.374 flat angles C4'-P-C4' energy: -137.545 flat angles P-C4'-P energy: -86.785 tors. eta vs tors. theta energy: -57.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -1058.758246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.758246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.758246 (E_RNA) where: Base-Base interactions energy: -618.521 where: short stacking energy: -305.920 Base-Backbone interact. energy: -2.202 local terms energy: -438.036021 where: bonds (distance) C4'-P energy: -124.749 bonds (distance) P-C4' energy: -128.690 flat angles C4'-P-C4' energy: -108.068 flat angles P-C4'-P energy: -68.754 tors. eta vs tors. theta energy: -7.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2661.738464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.738464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.738464 (E_RNA) where: Base-Base interactions energy: -1828.097 where: short stacking energy: -817.163 Base-Backbone interact. energy: -3.559 local terms energy: -830.081959 where: bonds (distance) C4'-P energy: -157.672 bonds (distance) P-C4' energy: -171.069 flat angles C4'-P-C4' energy: -187.437 flat angles P-C4'-P energy: -109.332 tors. eta vs tors. theta energy: -204.572 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: 8 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2610.964563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.964563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.964563 (E_RNA) where: Base-Base interactions energy: -1813.347 where: short stacking energy: -819.801 Base-Backbone interact. energy: -1.403 local terms energy: -796.213999 where: bonds (distance) C4'-P energy: -156.655 bonds (distance) P-C4' energy: -150.802 flat angles C4'-P-C4' energy: -168.609 flat angles P-C4'-P energy: -112.629 tors. eta vs tors. theta energy: -207.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2460.313964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.313964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.313964 (E_RNA) where: Base-Base interactions energy: -1673.602 where: short stacking energy: -753.277 Base-Backbone interact. energy: -8.754 local terms energy: -777.957734 where: bonds (distance) C4'-P energy: -151.568 bonds (distance) P-C4' energy: -161.554 flat angles C4'-P-C4' energy: -163.710 flat angles P-C4'-P energy: -110.865 tors. eta vs tors. theta energy: -190.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2197.130326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.130326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.130326 (E_RNA) where: Base-Base interactions energy: -1452.337 where: short stacking energy: -687.185 Base-Backbone interact. energy: -0.858 local terms energy: -743.935707 where: bonds (distance) C4'-P energy: -140.962 bonds (distance) P-C4' energy: -151.364 flat angles C4'-P-C4' energy: -168.274 flat angles P-C4'-P energy: -111.081 tors. eta vs tors. theta energy: -172.254 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: 49 Temperature: 1.100000 Total energy: -2185.552381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.552381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.552381 (E_RNA) where: Base-Base interactions energy: -1500.553 where: short stacking energy: -695.167 Base-Backbone interact. energy: 2.522 local terms energy: -687.520972 where: bonds (distance) C4'-P energy: -127.941 bonds (distance) P-C4' energy: -127.864 flat angles C4'-P-C4' energy: -158.233 flat angles P-C4'-P energy: -95.747 tors. eta vs tors. theta energy: -177.736 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: 6, replica: 4 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2025.514743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.514743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.514743 (E_RNA) where: Base-Base interactions energy: -1381.507 where: short stacking energy: -601.151 Base-Backbone interact. energy: -1.015 local terms energy: -642.993055 where: bonds (distance) C4'-P energy: -126.602 bonds (distance) P-C4' energy: -135.313 flat angles C4'-P-C4' energy: -153.206 flat angles P-C4'-P energy: -107.300 tors. eta vs tors. theta energy: -120.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1896.964707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.964707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.964707 (E_RNA) where: Base-Base interactions energy: -1255.451 where: short stacking energy: -588.052 Base-Backbone interact. energy: 0.972 local terms energy: -642.486329 where: bonds (distance) C4'-P energy: -121.875 bonds (distance) P-C4' energy: -147.627 flat angles C4'-P-C4' energy: -151.865 flat angles P-C4'-P energy: -84.854 tors. eta vs tors. theta energy: -136.265 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: 49 Temperature: 1.250000 Total energy: -1604.423634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.423634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.423634 (E_RNA) where: Base-Base interactions energy: -1072.657 where: short stacking energy: -499.448 Base-Backbone interact. energy: 2.716 local terms energy: -534.482482 where: bonds (distance) C4'-P energy: -104.876 bonds (distance) P-C4' energy: -140.422 flat angles C4'-P-C4' energy: -128.291 flat angles P-C4'-P energy: -74.643 tors. eta vs tors. theta energy: -86.251 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: 1 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1519.834780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.834780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.834780 (E_RNA) where: Base-Base interactions energy: -973.180 where: short stacking energy: -418.711 Base-Backbone interact. energy: -1.826 local terms energy: -544.829303 where: bonds (distance) C4'-P energy: -113.796 bonds (distance) P-C4' energy: -123.158 flat angles C4'-P-C4' energy: -142.634 flat angles P-C4'-P energy: -95.167 tors. eta vs tors. theta energy: -70.074 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: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -1145.658253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.658253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.658253 (E_RNA) where: Base-Base interactions energy: -669.129 where: short stacking energy: -361.496 Base-Backbone interact. energy: 1.333 local terms energy: -477.862898 where: bonds (distance) C4'-P energy: -117.413 bonds (distance) P-C4' energy: -132.609 flat angles C4'-P-C4' energy: -111.257 flat angles P-C4'-P energy: -69.248 tors. eta vs tors. theta energy: -47.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2673.770523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.770523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.770523 (E_RNA) where: Base-Base interactions energy: -1835.377 where: short stacking energy: -808.543 Base-Backbone interact. energy: -6.456 local terms energy: -831.937581 where: bonds (distance) C4'-P energy: -157.896 bonds (distance) P-C4' energy: -156.537 flat angles C4'-P-C4' energy: -185.965 flat angles P-C4'-P energy: -124.394 tors. eta vs tors. theta energy: -207.147 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: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2607.815155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.815155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.815155 (E_RNA) where: Base-Base interactions energy: -1818.874 where: short stacking energy: -813.096 Base-Backbone interact. energy: -4.274 local terms energy: -784.667325 where: bonds (distance) C4'-P energy: -143.642 bonds (distance) P-C4' energy: -151.131 flat angles C4'-P-C4' energy: -184.902 flat angles P-C4'-P energy: -104.300 tors. eta vs tors. theta energy: -200.692 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: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2482.314515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.314515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.314515 (E_RNA) where: Base-Base interactions energy: -1697.570 where: short stacking energy: -761.249 Base-Backbone interact. energy: -3.364 local terms energy: -781.380578 where: bonds (distance) C4'-P energy: -161.370 bonds (distance) P-C4' energy: -154.187 flat angles C4'-P-C4' energy: -162.398 flat angles P-C4'-P energy: -109.002 tors. eta vs tors. theta energy: -194.423 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: 50 Temperature: 1.050000 Total energy: -2231.266270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.266270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.266270 (E_RNA) where: Base-Base interactions energy: -1502.067 where: short stacking energy: -690.029 Base-Backbone interact. energy: -4.736 local terms energy: -724.463252 where: bonds (distance) C4'-P energy: -138.221 bonds (distance) P-C4' energy: -157.802 flat angles C4'-P-C4' energy: -154.881 flat angles P-C4'-P energy: -110.266 tors. eta vs tors. theta energy: -163.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2190.091666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.091666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.091666 (E_RNA) where: Base-Base interactions energy: -1485.807 where: short stacking energy: -681.786 Base-Backbone interact. energy: -1.853 local terms energy: -702.431205 where: bonds (distance) C4'-P energy: -135.816 bonds (distance) P-C4' energy: -150.131 flat angles C4'-P-C4' energy: -158.226 flat angles P-C4'-P energy: -112.394 tors. eta vs tors. theta energy: -145.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2000.712854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.712854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.712854 (E_RNA) where: Base-Base interactions energy: -1341.092 where: short stacking energy: -590.735 Base-Backbone interact. energy: -0.451 local terms energy: -659.169726 where: bonds (distance) C4'-P energy: -146.988 bonds (distance) P-C4' energy: -146.692 flat angles C4'-P-C4' energy: -157.614 flat angles P-C4'-P energy: -84.598 tors. eta vs tors. theta energy: -123.278 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: 7, replica: 3 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1826.559934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.559934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.559934 (E_RNA) where: Base-Base interactions energy: -1216.064 where: short stacking energy: -538.719 Base-Backbone interact. energy: 9.319 local terms energy: -619.815251 where: bonds (distance) C4'-P energy: -113.186 bonds (distance) P-C4' energy: -150.749 flat angles C4'-P-C4' energy: -154.631 flat angles P-C4'-P energy: -93.348 tors. eta vs tors. theta energy: -107.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1645.847581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.847581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.847581 (E_RNA) where: Base-Base interactions energy: -1069.113 where: short stacking energy: -495.899 Base-Backbone interact. energy: -2.229 local terms energy: -574.506090 where: bonds (distance) C4'-P energy: -138.259 bonds (distance) P-C4' energy: -125.879 flat angles C4'-P-C4' energy: -134.674 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -108.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1483.853166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.853166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.853166 (E_RNA) where: Base-Base interactions energy: -937.307 where: short stacking energy: -427.423 Base-Backbone interact. energy: -2.054 local terms energy: -544.491856 where: bonds (distance) C4'-P energy: -129.557 bonds (distance) P-C4' energy: -142.906 flat angles C4'-P-C4' energy: -139.663 flat angles P-C4'-P energy: -71.892 tors. eta vs tors. theta energy: -60.474 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: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -1111.592864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.592864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.592864 (E_RNA) where: Base-Base interactions energy: -643.753 where: short stacking energy: -325.862 Base-Backbone interact. energy: 3.869 local terms energy: -471.709087 where: bonds (distance) C4'-P energy: -150.542 bonds (distance) P-C4' energy: -123.175 flat angles C4'-P-C4' energy: -112.869 flat angles P-C4'-P energy: -59.056 tors. eta vs tors. theta energy: -26.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2675.650356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.650356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.650356 (E_RNA) where: Base-Base interactions energy: -1854.250 where: short stacking energy: -811.306 Base-Backbone interact. energy: -2.107 local terms energy: -819.293636 where: bonds (distance) C4'-P energy: -163.558 bonds (distance) P-C4' energy: -150.489 flat angles C4'-P-C4' energy: -183.440 flat angles P-C4'-P energy: -109.404 tors. eta vs tors. theta energy: -212.402 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: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2589.428293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.428293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.428293 (E_RNA) where: Base-Base interactions energy: -1783.923 where: short stacking energy: -777.383 Base-Backbone interact. energy: -2.734 local terms energy: -802.770888 where: bonds (distance) C4'-P energy: -152.752 bonds (distance) P-C4' energy: -156.360 flat angles C4'-P-C4' energy: -174.734 flat angles P-C4'-P energy: -121.815 tors. eta vs tors. theta energy: -197.111 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: 6 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2488.297130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.297130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.297130 (E_RNA) where: Base-Base interactions energy: -1700.898 where: short stacking energy: -745.601 Base-Backbone interact. energy: -6.545 local terms energy: -780.854240 where: bonds (distance) C4'-P energy: -156.270 bonds (distance) P-C4' energy: -160.141 flat angles C4'-P-C4' energy: -166.238 flat angles P-C4'-P energy: -110.275 tors. eta vs tors. theta energy: -187.931 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: 10 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2279.951485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.951485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.951485 (E_RNA) where: Base-Base interactions energy: -1549.292 where: short stacking energy: -715.111 Base-Backbone interact. energy: -1.946 local terms energy: -728.713976 where: bonds (distance) C4'-P energy: -133.132 bonds (distance) P-C4' energy: -141.816 flat angles C4'-P-C4' energy: -170.508 flat angles P-C4'-P energy: -110.055 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: 5, replica: 7 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2222.659689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.659689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.659689 (E_RNA) where: Base-Base interactions energy: -1503.089 where: short stacking energy: -685.475 Base-Backbone interact. energy: -0.826 local terms energy: -718.745121 where: bonds (distance) C4'-P energy: -136.623 bonds (distance) P-C4' energy: -137.910 flat angles C4'-P-C4' energy: -168.678 flat angles P-C4'-P energy: -107.002 tors. eta vs tors. theta energy: -168.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2012.969479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.969479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.969479 (E_RNA) where: Base-Base interactions energy: -1369.056 where: short stacking energy: -636.935 Base-Backbone interact. energy: 4.100 local terms energy: -648.014197 where: bonds (distance) C4'-P energy: -143.870 bonds (distance) P-C4' energy: -128.434 flat angles C4'-P-C4' energy: -159.719 flat angles P-C4'-P energy: -76.257 tors. eta vs tors. theta energy: -139.735 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: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1815.507891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.507891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.507891 (E_RNA) where: Base-Base interactions energy: -1166.914 where: short stacking energy: -531.310 Base-Backbone interact. energy: -1.183 local terms energy: -647.410711 where: bonds (distance) C4'-P energy: -142.123 bonds (distance) P-C4' energy: -154.555 flat angles C4'-P-C4' energy: -148.966 flat angles P-C4'-P energy: -87.065 tors. eta vs tors. theta energy: -114.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1664.009065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.009065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.009065 (E_RNA) where: Base-Base interactions energy: -1097.792 where: short stacking energy: -519.708 Base-Backbone interact. energy: -1.666 local terms energy: -564.551404 where: bonds (distance) C4'-P energy: -132.563 bonds (distance) P-C4' energy: -122.520 flat angles C4'-P-C4' energy: -130.483 flat angles P-C4'-P energy: -76.419 tors. eta vs tors. theta energy: -102.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1359.397120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.397120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.397120 (E_RNA) where: Base-Base interactions energy: -853.175 where: short stacking energy: -377.026 Base-Backbone interact. energy: 11.096 local terms energy: -517.317721 where: bonds (distance) C4'-P energy: -118.588 bonds (distance) P-C4' energy: -130.983 flat angles C4'-P-C4' energy: -132.953 flat angles P-C4'-P energy: -81.548 tors. eta vs tors. theta energy: -53.247 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: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1223.258580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.258580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.258580 (E_RNA) where: Base-Base interactions energy: -763.547 where: short stacking energy: -375.882 Base-Backbone interact. energy: 3.214 local terms energy: -462.926314 where: bonds (distance) C4'-P energy: -105.486 bonds (distance) P-C4' energy: -123.760 flat angles C4'-P-C4' energy: -112.507 flat angles P-C4'-P energy: -80.995 tors. eta vs tors. theta energy: -40.179 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: 1, replica: 8 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2669.964968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.964968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.964968 (E_RNA) where: Base-Base interactions energy: -1855.784 where: short stacking energy: -872.789 Base-Backbone interact. energy: 2.041 local terms energy: -816.222055 where: bonds (distance) C4'-P energy: -165.117 bonds (distance) P-C4' energy: -150.523 flat angles C4'-P-C4' energy: -177.613 flat angles P-C4'-P energy: -115.940 tors. eta vs tors. theta energy: -207.030 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: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2620.163283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.163283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.163283 (E_RNA) where: Base-Base interactions energy: -1848.278 where: short stacking energy: -833.362 Base-Backbone interact. energy: -1.747 local terms energy: -770.138761 where: bonds (distance) C4'-P energy: -136.450 bonds (distance) P-C4' energy: -154.594 flat angles C4'-P-C4' energy: -181.421 flat angles P-C4'-P energy: -101.832 tors. eta vs tors. theta energy: -195.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2472.926790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.926790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.926790 (E_RNA) where: Base-Base interactions energy: -1697.629 where: short stacking energy: -769.691 Base-Backbone interact. energy: -6.582 local terms energy: -768.715591 where: bonds (distance) C4'-P energy: -159.985 bonds (distance) P-C4' energy: -143.015 flat angles C4'-P-C4' energy: -163.064 flat angles P-C4'-P energy: -96.269 tors. eta vs tors. theta energy: -206.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2311.866696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.866696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.866696 (E_RNA) where: Base-Base interactions energy: -1583.037 where: short stacking energy: -721.850 Base-Backbone interact. energy: -1.365 local terms energy: -727.465335 where: bonds (distance) C4'-P energy: -138.175 bonds (distance) P-C4' energy: -150.243 flat angles C4'-P-C4' energy: -161.081 flat angles P-C4'-P energy: -93.986 tors. eta vs tors. theta energy: -183.980 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: 52 Temperature: 1.100000 Total energy: -2275.060199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.060199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.060199 (E_RNA) where: Base-Base interactions energy: -1581.090 where: short stacking energy: -703.379 Base-Backbone interact. energy: 6.475 local terms energy: -700.444998 where: bonds (distance) C4'-P energy: -125.467 bonds (distance) P-C4' energy: -144.746 flat angles C4'-P-C4' energy: -152.425 flat angles P-C4'-P energy: -96.021 tors. eta vs tors. theta energy: -181.786 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: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -2069.543911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.543911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.543911 (E_RNA) where: Base-Base interactions energy: -1387.849 where: short stacking energy: -628.548 Base-Backbone interact. energy: -0.713 local terms energy: -680.981962 where: bonds (distance) C4'-P energy: -127.520 bonds (distance) P-C4' energy: -127.777 flat angles C4'-P-C4' energy: -161.064 flat angles P-C4'-P energy: -111.638 tors. eta vs tors. theta energy: -152.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1859.284178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.284178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.284178 (E_RNA) where: Base-Base interactions energy: -1243.243 where: short stacking energy: -556.886 Base-Backbone interact. energy: 0.582 local terms energy: -616.623567 where: bonds (distance) C4'-P energy: -143.128 bonds (distance) P-C4' energy: -138.533 flat angles C4'-P-C4' energy: -145.865 flat angles P-C4'-P energy: -71.824 tors. eta vs tors. theta energy: -117.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1774.853415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.853415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.853415 (E_RNA) where: Base-Base interactions energy: -1186.222 where: short stacking energy: -565.844 Base-Backbone interact. energy: 6.198 local terms energy: -594.829467 where: bonds (distance) C4'-P energy: -118.784 bonds (distance) P-C4' energy: -137.592 flat angles C4'-P-C4' energy: -131.161 flat angles P-C4'-P energy: -89.731 tors. eta vs tors. theta energy: -117.562 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: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1315.914800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.914800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.914800 (E_RNA) where: Base-Base interactions energy: -786.418 where: short stacking energy: -381.954 Base-Backbone interact. energy: -1.683 local terms energy: -527.813690 where: bonds (distance) C4'-P energy: -115.383 bonds (distance) P-C4' energy: -147.011 flat angles C4'-P-C4' energy: -148.608 flat angles P-C4'-P energy: -75.609 tors. eta vs tors. theta energy: -41.203 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: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1259.279604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.279604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.279604 (E_RNA) where: Base-Base interactions energy: -818.423 where: short stacking energy: -396.586 Base-Backbone interact. energy: 1.426 local terms energy: -442.282531 where: bonds (distance) C4'-P energy: -98.093 bonds (distance) P-C4' energy: -130.657 flat angles C4'-P-C4' energy: -110.160 flat angles P-C4'-P energy: -52.438 tors. eta vs tors. theta energy: -50.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2680.507347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.507347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.507347 (E_RNA) where: Base-Base interactions energy: -1831.078 where: short stacking energy: -809.094 Base-Backbone interact. energy: -3.260 local terms energy: -846.168960 where: bonds (distance) C4'-P energy: -170.249 bonds (distance) P-C4' energy: -179.176 flat angles C4'-P-C4' energy: -172.411 flat angles P-C4'-P energy: -125.212 tors. eta vs tors. theta energy: -199.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2614.780996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.780996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.780996 (E_RNA) where: Base-Base interactions energy: -1816.923 where: short stacking energy: -802.673 Base-Backbone interact. energy: -4.197 local terms energy: -793.661199 where: bonds (distance) C4'-P energy: -155.031 bonds (distance) P-C4' energy: -166.361 flat angles C4'-P-C4' energy: -170.246 flat angles P-C4'-P energy: -107.955 tors. eta vs tors. theta energy: -194.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2456.651937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.651937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.651937 (E_RNA) where: Base-Base interactions energy: -1678.607 where: short stacking energy: -781.432 Base-Backbone interact. energy: -0.268 local terms energy: -777.776523 where: bonds (distance) C4'-P energy: -160.873 bonds (distance) P-C4' energy: -154.583 flat angles C4'-P-C4' energy: -163.221 flat angles P-C4'-P energy: -103.846 tors. eta vs tors. theta energy: -195.254 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: 4, replica: 10 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2330.082269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.082269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.082269 (E_RNA) where: Base-Base interactions energy: -1590.403 where: short stacking energy: -750.646 Base-Backbone interact. energy: -0.865 local terms energy: -738.814187 where: bonds (distance) C4'-P energy: -140.194 bonds (distance) P-C4' energy: -147.377 flat angles C4'-P-C4' energy: -166.745 flat angles P-C4'-P energy: -98.738 tors. eta vs tors. theta energy: -185.759 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: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2297.804348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.804348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.804348 (E_RNA) where: Base-Base interactions energy: -1575.229 where: short stacking energy: -741.707 Base-Backbone interact. energy: -0.735 local terms energy: -721.839522 where: bonds (distance) C4'-P energy: -122.359 bonds (distance) P-C4' energy: -145.215 flat angles C4'-P-C4' energy: -159.702 flat angles P-C4'-P energy: -95.473 tors. eta vs tors. theta energy: -199.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2059.291543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.291543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.291543 (E_RNA) where: Base-Base interactions energy: -1377.598 where: short stacking energy: -581.996 Base-Backbone interact. energy: -1.841 local terms energy: -679.852206 where: bonds (distance) C4'-P energy: -165.902 bonds (distance) P-C4' energy: -155.135 flat angles C4'-P-C4' energy: -152.363 flat angles P-C4'-P energy: -86.872 tors. eta vs tors. theta energy: -119.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1929.026191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.026191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.026191 (E_RNA) where: Base-Base interactions energy: -1285.039 where: short stacking energy: -594.948 Base-Backbone interact. energy: -0.542 local terms energy: -643.444602 where: bonds (distance) C4'-P energy: -143.054 bonds (distance) P-C4' energy: -136.757 flat angles C4'-P-C4' energy: -147.177 flat angles P-C4'-P energy: -88.640 tors. eta vs tors. theta energy: -127.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1763.381355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.381355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.381355 (E_RNA) where: Base-Base interactions energy: -1177.232 where: short stacking energy: -545.083 Base-Backbone interact. energy: -3.648 local terms energy: -582.501090 where: bonds (distance) C4'-P energy: -123.141 bonds (distance) P-C4' energy: -122.660 flat angles C4'-P-C4' energy: -146.162 flat angles P-C4'-P energy: -88.405 tors. eta vs tors. theta energy: -102.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1369.371462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.371462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.371462 (E_RNA) where: Base-Base interactions energy: -837.113 where: short stacking energy: -428.507 Base-Backbone interact. energy: 1.442 local terms energy: -533.700049 where: bonds (distance) C4'-P energy: -126.284 bonds (distance) P-C4' energy: -128.234 flat angles C4'-P-C4' energy: -142.164 flat angles P-C4'-P energy: -85.868 tors. eta vs tors. theta energy: -51.151 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: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1237.203234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.203234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.203234 (E_RNA) where: Base-Base interactions energy: -762.627 where: short stacking energy: -357.536 Base-Backbone interact. energy: 4.159 local terms energy: -478.734892 where: bonds (distance) C4'-P energy: -122.133 bonds (distance) P-C4' energy: -123.018 flat angles C4'-P-C4' energy: -111.905 flat angles P-C4'-P energy: -77.102 tors. eta vs tors. theta energy: -44.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2654.903221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.903221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.903221 (E_RNA) where: Base-Base interactions energy: -1838.565 where: short stacking energy: -832.557 Base-Backbone interact. energy: -3.335 local terms energy: -813.002514 where: bonds (distance) C4'-P energy: -152.144 bonds (distance) P-C4' energy: -157.106 flat angles C4'-P-C4' energy: -181.177 flat angles P-C4'-P energy: -123.001 tors. eta vs tors. theta energy: -199.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2623.880727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.880727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.880727 (E_RNA) where: Base-Base interactions energy: -1846.754 where: short stacking energy: -784.970 Base-Backbone interact. energy: -2.996 local terms energy: -774.130103 where: bonds (distance) C4'-P energy: -152.115 bonds (distance) P-C4' energy: -159.689 flat angles C4'-P-C4' energy: -169.889 flat angles P-C4'-P energy: -110.790 tors. eta vs tors. theta energy: -181.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2426.096688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.096688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.096688 (E_RNA) where: Base-Base interactions energy: -1654.084 where: short stacking energy: -738.753 Base-Backbone interact. energy: -2.024 local terms energy: -769.988579 where: bonds (distance) C4'-P energy: -140.047 bonds (distance) P-C4' energy: -150.007 flat angles C4'-P-C4' energy: -178.026 flat angles P-C4'-P energy: -116.811 tors. eta vs tors. theta energy: -185.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2340.972094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.972094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.972094 (E_RNA) where: Base-Base interactions energy: -1603.525 where: short stacking energy: -753.048 Base-Backbone interact. energy: 1.460 local terms energy: -738.906717 where: bonds (distance) C4'-P energy: -108.993 bonds (distance) P-C4' energy: -155.301 flat angles C4'-P-C4' energy: -167.745 flat angles P-C4'-P energy: -117.355 tors. eta vs tors. theta energy: -189.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2296.947776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.947776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.947776 (E_RNA) where: Base-Base interactions energy: -1552.824 where: short stacking energy: -714.138 Base-Backbone interact. energy: -0.178 local terms energy: -743.945729 where: bonds (distance) C4'-P energy: -131.290 bonds (distance) P-C4' energy: -135.071 flat angles C4'-P-C4' energy: -175.922 flat angles P-C4'-P energy: -102.945 tors. eta vs tors. theta energy: -198.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -2038.067412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.067412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.067412 (E_RNA) where: Base-Base interactions energy: -1400.002 where: short stacking energy: -636.876 Base-Backbone interact. energy: -0.280 local terms energy: -637.784721 where: bonds (distance) C4'-P energy: -139.964 bonds (distance) P-C4' energy: -132.974 flat angles C4'-P-C4' energy: -152.423 flat angles P-C4'-P energy: -79.084 tors. eta vs tors. theta energy: -133.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1891.957408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.957408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.957408 (E_RNA) where: Base-Base interactions energy: -1281.856 where: short stacking energy: -574.350 Base-Backbone interact. energy: -2.896 local terms energy: -607.205169 where: bonds (distance) C4'-P energy: -137.095 bonds (distance) P-C4' energy: -140.802 flat angles C4'-P-C4' energy: -135.805 flat angles P-C4'-P energy: -66.613 tors. eta vs tors. theta energy: -126.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1714.554010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.554010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.554010 (E_RNA) where: Base-Base interactions energy: -1144.255 where: short stacking energy: -526.117 Base-Backbone interact. energy: -3.421 local terms energy: -566.877482 where: bonds (distance) C4'-P energy: -120.358 bonds (distance) P-C4' energy: -142.471 flat angles C4'-P-C4' energy: -129.593 flat angles P-C4'-P energy: -73.365 tors. eta vs tors. theta energy: -101.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1432.761125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.761125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.761125 (E_RNA) where: Base-Base interactions energy: -916.334 where: short stacking energy: -432.122 Base-Backbone interact. energy: -0.512 local terms energy: -515.914892 where: bonds (distance) C4'-P energy: -114.816 bonds (distance) P-C4' energy: -129.817 flat angles C4'-P-C4' energy: -125.748 flat angles P-C4'-P energy: -78.900 tors. eta vs tors. theta energy: -66.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1241.474798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.474798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.474798 (E_RNA) where: Base-Base interactions energy: -802.620 where: short stacking energy: -372.768 Base-Backbone interact. energy: 1.271 local terms energy: -440.125651 where: bonds (distance) C4'-P energy: -108.841 bonds (distance) P-C4' energy: -127.807 flat angles C4'-P-C4' energy: -97.343 flat angles P-C4'-P energy: -75.917 tors. eta vs tors. theta energy: -30.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2660.074364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.074364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.074364 (E_RNA) where: Base-Base interactions energy: -1820.405 where: short stacking energy: -823.080 Base-Backbone interact. energy: 2.512 local terms energy: -842.181506 where: bonds (distance) C4'-P energy: -168.003 bonds (distance) P-C4' energy: -156.121 flat angles C4'-P-C4' energy: -186.840 flat angles P-C4'-P energy: -120.249 tors. eta vs tors. theta energy: -210.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2613.960051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.960051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.960051 (E_RNA) where: Base-Base interactions energy: -1822.839 where: short stacking energy: -790.450 Base-Backbone interact. energy: -2.746 local terms energy: -788.375413 where: bonds (distance) C4'-P energy: -153.171 bonds (distance) P-C4' energy: -162.622 flat angles C4'-P-C4' energy: -174.244 flat angles P-C4'-P energy: -103.014 tors. eta vs tors. theta energy: -195.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2405.029255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.029255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.029255 (E_RNA) where: Base-Base interactions energy: -1685.711 where: short stacking energy: -732.667 Base-Backbone interact. energy: 1.952 local terms energy: -721.269501 where: bonds (distance) C4'-P energy: -131.733 bonds (distance) P-C4' energy: -135.311 flat angles C4'-P-C4' energy: -163.610 flat angles P-C4'-P energy: -112.257 tors. eta vs tors. theta energy: -178.359 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: 7 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2379.865344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.865344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.865344 (E_RNA) where: Base-Base interactions energy: -1605.839 where: short stacking energy: -732.744 Base-Backbone interact. energy: -2.686 local terms energy: -771.339856 where: bonds (distance) C4'-P energy: -144.009 bonds (distance) P-C4' energy: -143.169 flat angles C4'-P-C4' energy: -169.256 flat angles P-C4'-P energy: -116.191 tors. eta vs tors. theta energy: -198.716 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: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2211.085909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.085909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.085909 (E_RNA) where: Base-Base interactions energy: -1494.071 where: short stacking energy: -665.230 Base-Backbone interact. energy: -3.650 local terms energy: -713.364663 where: bonds (distance) C4'-P energy: -165.293 bonds (distance) P-C4' energy: -135.815 flat angles C4'-P-C4' energy: -164.219 flat angles P-C4'-P energy: -90.225 tors. eta vs tors. theta energy: -157.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2057.128977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.128977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.128977 (E_RNA) where: Base-Base interactions energy: -1387.669 where: short stacking energy: -638.048 Base-Backbone interact. energy: -0.695 local terms energy: -668.765181 where: bonds (distance) C4'-P energy: -132.862 bonds (distance) P-C4' energy: -136.746 flat angles C4'-P-C4' energy: -153.418 flat angles P-C4'-P energy: -93.737 tors. eta vs tors. theta energy: -152.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1905.693150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.693150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.693150 (E_RNA) where: Base-Base interactions energy: -1287.691 where: short stacking energy: -597.064 Base-Backbone interact. energy: 1.444 local terms energy: -619.446098 where: bonds (distance) C4'-P energy: -129.364 bonds (distance) P-C4' energy: -133.785 flat angles C4'-P-C4' energy: -153.317 flat angles P-C4'-P energy: -74.441 tors. eta vs tors. theta energy: -128.538 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: 55 Temperature: 1.250000 Total energy: -1663.848412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.848412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.848412 (E_RNA) where: Base-Base interactions energy: -1084.305 where: short stacking energy: -531.358 Base-Backbone interact. energy: -0.142 local terms energy: -579.401409 where: bonds (distance) C4'-P energy: -128.146 bonds (distance) P-C4' energy: -139.726 flat angles C4'-P-C4' energy: -131.883 flat angles P-C4'-P energy: -82.149 tors. eta vs tors. theta energy: -97.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1506.169177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.169177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.169177 (E_RNA) where: Base-Base interactions energy: -952.084 where: short stacking energy: -462.402 Base-Backbone interact. energy: -0.721 local terms energy: -553.364208 where: bonds (distance) C4'-P energy: -134.936 bonds (distance) P-C4' energy: -133.907 flat angles C4'-P-C4' energy: -126.034 flat angles P-C4'-P energy: -70.118 tors. eta vs tors. theta energy: -88.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1210.113924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.113924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.113924 (E_RNA) where: Base-Base interactions energy: -761.061 where: short stacking energy: -371.862 Base-Backbone interact. energy: 1.787 local terms energy: -450.839314 where: bonds (distance) C4'-P energy: -121.827 bonds (distance) P-C4' energy: -129.826 flat angles C4'-P-C4' energy: -96.388 flat angles P-C4'-P energy: -72.771 tors. eta vs tors. theta energy: -30.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2664.678799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.678799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.678799 (E_RNA) where: Base-Base interactions energy: -1844.112 where: short stacking energy: -860.054 Base-Backbone interact. energy: 7.513 local terms energy: -828.080114 where: bonds (distance) C4'-P energy: -165.790 bonds (distance) P-C4' energy: -152.419 flat angles C4'-P-C4' energy: -184.230 flat angles P-C4'-P energy: -110.392 tors. eta vs tors. theta energy: -215.249 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: 56 Temperature: 0.950000 Total energy: -2624.884509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.884509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.884509 (E_RNA) where: Base-Base interactions energy: -1832.480 where: short stacking energy: -817.659 Base-Backbone interact. energy: -1.260 local terms energy: -791.144562 where: bonds (distance) C4'-P energy: -157.036 bonds (distance) P-C4' energy: -154.674 flat angles C4'-P-C4' energy: -169.645 flat angles P-C4'-P energy: -108.466 tors. eta vs tors. theta energy: -201.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2422.034341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.034341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.034341 (E_RNA) where: Base-Base interactions energy: -1667.974 where: short stacking energy: -725.294 Base-Backbone interact. energy: -2.757 local terms energy: -751.303368 where: bonds (distance) C4'-P energy: -128.628 bonds (distance) P-C4' energy: -156.567 flat angles C4'-P-C4' energy: -171.725 flat angles P-C4'-P energy: -110.844 tors. eta vs tors. theta energy: -183.540 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: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2379.488403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.488403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.488403 (E_RNA) where: Base-Base interactions energy: -1610.803 where: short stacking energy: -736.775 Base-Backbone interact. energy: 0.149 local terms energy: -768.834349 where: bonds (distance) C4'-P energy: -150.123 bonds (distance) P-C4' energy: -146.053 flat angles C4'-P-C4' energy: -165.256 flat angles P-C4'-P energy: -114.257 tors. eta vs tors. theta energy: -193.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2172.530920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.530920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.530920 (E_RNA) where: Base-Base interactions energy: -1511.479 where: short stacking energy: -676.152 Base-Backbone interact. energy: -2.306 local terms energy: -658.746240 where: bonds (distance) C4'-P energy: -138.231 bonds (distance) P-C4' energy: -128.151 flat angles C4'-P-C4' energy: -156.575 flat angles P-C4'-P energy: -95.757 tors. eta vs tors. theta energy: -140.032 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: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2084.094550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.094550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.094550 (E_RNA) where: Base-Base interactions energy: -1421.285 where: short stacking energy: -614.830 Base-Backbone interact. energy: 0.765 local terms energy: -663.574465 where: bonds (distance) C4'-P energy: -133.240 bonds (distance) P-C4' energy: -140.917 flat angles C4'-P-C4' energy: -157.399 flat angles P-C4'-P energy: -94.235 tors. eta vs tors. theta energy: -137.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1882.312757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.312757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.312757 (E_RNA) where: Base-Base interactions energy: -1259.800 where: short stacking energy: -575.614 Base-Backbone interact. energy: -3.850 local terms energy: -618.663206 where: bonds (distance) C4'-P energy: -128.462 bonds (distance) P-C4' energy: -127.289 flat angles C4'-P-C4' energy: -144.155 flat angles P-C4'-P energy: -106.473 tors. eta vs tors. theta energy: -112.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1735.927922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.927922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.927922 (E_RNA) where: Base-Base interactions energy: -1110.470 where: short stacking energy: -522.364 Base-Backbone interact. energy: -1.679 local terms energy: -623.778225 where: bonds (distance) C4'-P energy: -134.870 bonds (distance) P-C4' energy: -133.037 flat angles C4'-P-C4' energy: -148.441 flat angles P-C4'-P energy: -88.927 tors. eta vs tors. theta energy: -118.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1446.900614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.900614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.900614 (E_RNA) where: Base-Base interactions energy: -943.760 where: short stacking energy: -420.457 Base-Backbone interact. energy: -2.341 local terms energy: -500.798864 where: bonds (distance) C4'-P energy: -123.547 bonds (distance) P-C4' energy: -118.054 flat angles C4'-P-C4' energy: -129.589 flat angles P-C4'-P energy: -72.042 tors. eta vs tors. theta energy: -57.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1183.790632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.790632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.790632 (E_RNA) where: Base-Base interactions energy: -702.350 where: short stacking energy: -347.216 Base-Backbone interact. energy: -0.878 local terms energy: -480.562642 where: bonds (distance) C4'-P energy: -119.765 bonds (distance) P-C4' energy: -121.910 flat angles C4'-P-C4' energy: -144.765 flat angles P-C4'-P energy: -59.468 tors. eta vs tors. theta energy: -34.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2686.839524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.839524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.839524 (E_RNA) where: Base-Base interactions energy: -1856.656 where: short stacking energy: -828.908 Base-Backbone interact. energy: -4.337 local terms energy: -825.846351 where: bonds (distance) C4'-P energy: -159.542 bonds (distance) P-C4' energy: -164.770 flat angles C4'-P-C4' energy: -168.935 flat angles P-C4'-P energy: -111.105 tors. eta vs tors. theta energy: -221.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2654.248040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.248040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.248040 (E_RNA) where: Base-Base interactions energy: -1861.819 where: short stacking energy: -792.160 Base-Backbone interact. energy: -4.835 local terms energy: -787.594486 where: bonds (distance) C4'-P energy: -169.957 bonds (distance) P-C4' energy: -135.834 flat angles C4'-P-C4' energy: -173.114 flat angles P-C4'-P energy: -111.870 tors. eta vs tors. theta energy: -196.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2421.837480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.837480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.837480 (E_RNA) where: Base-Base interactions energy: -1665.267 where: short stacking energy: -718.882 Base-Backbone interact. energy: -4.856 local terms energy: -751.714566 where: bonds (distance) C4'-P energy: -151.094 bonds (distance) P-C4' energy: -152.496 flat angles C4'-P-C4' energy: -171.165 flat angles P-C4'-P energy: -103.206 tors. eta vs tors. theta energy: -173.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2371.613624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.613624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.613624 (E_RNA) where: Base-Base interactions energy: -1629.891 where: short stacking energy: -736.047 Base-Backbone interact. energy: 3.478 local terms energy: -745.200756 where: bonds (distance) C4'-P energy: -149.619 bonds (distance) P-C4' energy: -147.332 flat angles C4'-P-C4' energy: -158.021 flat angles P-C4'-P energy: -96.659 tors. eta vs tors. theta energy: -193.570 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: 10 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2217.424597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.424597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.424597 (E_RNA) where: Base-Base interactions energy: -1512.626 where: short stacking energy: -688.500 Base-Backbone interact. energy: 3.010 local terms energy: -707.808542 where: bonds (distance) C4'-P energy: -132.243 bonds (distance) P-C4' energy: -142.902 flat angles C4'-P-C4' energy: -166.091 flat angles P-C4'-P energy: -118.925 tors. eta vs tors. theta energy: -147.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2092.483315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.483315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.483315 (E_RNA) where: Base-Base interactions energy: -1445.902 where: short stacking energy: -655.847 Base-Backbone interact. energy: 7.795 local terms energy: -654.376243 where: bonds (distance) C4'-P energy: -126.241 bonds (distance) P-C4' energy: -137.241 flat angles C4'-P-C4' energy: -157.525 flat angles P-C4'-P energy: -92.511 tors. eta vs tors. theta energy: -140.859 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: 3 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1925.149178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.149178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.149178 (E_RNA) where: Base-Base interactions energy: -1308.814 where: short stacking energy: -589.755 Base-Backbone interact. energy: 0.318 local terms energy: -616.652908 where: bonds (distance) C4'-P energy: -120.652 bonds (distance) P-C4' energy: -131.713 flat angles C4'-P-C4' energy: -145.581 flat angles P-C4'-P energy: -92.859 tors. eta vs tors. theta energy: -125.848 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: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1682.345141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.345141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.345141 (E_RNA) where: Base-Base interactions energy: -1090.253 where: short stacking energy: -510.173 Base-Backbone interact. energy: -0.348 local terms energy: -591.744596 where: bonds (distance) C4'-P energy: -119.311 bonds (distance) P-C4' energy: -142.696 flat angles C4'-P-C4' energy: -132.345 flat angles P-C4'-P energy: -97.641 tors. eta vs tors. theta energy: -99.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1439.921018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.921018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.921018 (E_RNA) where: Base-Base interactions energy: -905.451 where: short stacking energy: -429.649 Base-Backbone interact. energy: -1.136 local terms energy: -533.334776 where: bonds (distance) C4'-P energy: -132.751 bonds (distance) P-C4' energy: -134.076 flat angles C4'-P-C4' energy: -119.399 flat angles P-C4'-P energy: -87.354 tors. eta vs tors. theta energy: -59.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1221.374873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.374873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.374873 (E_RNA) where: Base-Base interactions energy: -723.964 where: short stacking energy: -349.508 Base-Backbone interact. energy: 2.552 local terms energy: -499.962624 where: bonds (distance) C4'-P energy: -145.706 bonds (distance) P-C4' energy: -140.600 flat angles C4'-P-C4' energy: -127.665 flat angles P-C4'-P energy: -52.938 tors. eta vs tors. theta energy: -33.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2671.068433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.068433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.068433 (E_RNA) where: Base-Base interactions energy: -1854.266 where: short stacking energy: -826.784 Base-Backbone interact. energy: 1.110 local terms energy: -817.912809 where: bonds (distance) C4'-P energy: -155.954 bonds (distance) P-C4' energy: -156.117 flat angles C4'-P-C4' energy: -183.540 flat angles P-C4'-P energy: -114.175 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: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2658.801727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.801727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.801727 (E_RNA) where: Base-Base interactions energy: -1824.207 where: short stacking energy: -783.622 Base-Backbone interact. energy: -4.657 local terms energy: -829.936996 where: bonds (distance) C4'-P energy: -156.420 bonds (distance) P-C4' energy: -163.253 flat angles C4'-P-C4' energy: -188.221 flat angles P-C4'-P energy: -123.464 tors. eta vs tors. theta energy: -198.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2448.605291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.605291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.605291 (E_RNA) where: Base-Base interactions energy: -1703.710 where: short stacking energy: -731.713 Base-Backbone interact. energy: -3.513 local terms energy: -741.382476 where: bonds (distance) C4'-P energy: -138.757 bonds (distance) P-C4' energy: -162.812 flat angles C4'-P-C4' energy: -169.638 flat angles P-C4'-P energy: -104.135 tors. eta vs tors. theta energy: -166.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2436.247547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.247547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.247547 (E_RNA) where: Base-Base interactions energy: -1670.715 where: short stacking energy: -754.536 Base-Backbone interact. energy: -1.841 local terms energy: -763.690850 where: bonds (distance) C4'-P energy: -143.124 bonds (distance) P-C4' energy: -150.249 flat angles C4'-P-C4' energy: -162.073 flat angles P-C4'-P energy: -112.437 tors. eta vs tors. theta energy: -195.808 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: 10 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2181.647882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.647882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.647882 (E_RNA) where: Base-Base interactions energy: -1470.837 where: short stacking energy: -648.056 Base-Backbone interact. energy: 3.325 local terms energy: -714.135943 where: bonds (distance) C4'-P energy: -145.547 bonds (distance) P-C4' energy: -140.947 flat angles C4'-P-C4' energy: -172.858 flat angles P-C4'-P energy: -108.288 tors. eta vs tors. theta energy: -146.496 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: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -2064.259951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.259951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.259951 (E_RNA) where: Base-Base interactions energy: -1402.820 where: short stacking energy: -649.249 Base-Backbone interact. energy: -3.890 local terms energy: -657.549526 where: bonds (distance) C4'-P energy: -130.514 bonds (distance) P-C4' energy: -127.572 flat angles C4'-P-C4' energy: -150.424 flat angles P-C4'-P energy: -111.316 tors. eta vs tors. theta energy: -137.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1940.828784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.828784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.828784 (E_RNA) where: Base-Base interactions energy: -1301.258 where: short stacking energy: -567.306 Base-Backbone interact. energy: 0.951 local terms energy: -640.521266 where: bonds (distance) C4'-P energy: -131.965 bonds (distance) P-C4' energy: -147.006 flat angles C4'-P-C4' energy: -151.348 flat angles P-C4'-P energy: -89.507 tors. eta vs tors. theta energy: -120.695 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: 8, replica: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1719.532102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.532102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.532102 (E_RNA) where: Base-Base interactions energy: -1152.244 where: short stacking energy: -535.247 Base-Backbone interact. energy: -1.534 local terms energy: -565.753358 where: bonds (distance) C4'-P energy: -119.348 bonds (distance) P-C4' energy: -119.976 flat angles C4'-P-C4' energy: -129.764 flat angles P-C4'-P energy: -80.385 tors. eta vs tors. theta energy: -116.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1464.457170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.457170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.457170 (E_RNA) where: Base-Base interactions energy: -912.388 where: short stacking energy: -427.004 Base-Backbone interact. energy: 0.723 local terms energy: -552.792181 where: bonds (distance) C4'-P energy: -136.957 bonds (distance) P-C4' energy: -148.683 flat angles C4'-P-C4' energy: -144.389 flat angles P-C4'-P energy: -70.656 tors. eta vs tors. theta energy: -52.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1144.247679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.247679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.247679 (E_RNA) where: Base-Base interactions energy: -712.040 where: short stacking energy: -343.740 Base-Backbone interact. energy: 4.027 local terms energy: -436.234063 where: bonds (distance) C4'-P energy: -119.445 bonds (distance) P-C4' energy: -129.679 flat angles C4'-P-C4' energy: -111.528 flat angles P-C4'-P energy: -56.228 tors. eta vs tors. theta energy: -19.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2648.380676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.380676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.380676 (E_RNA) where: Base-Base interactions energy: -1837.158 where: short stacking energy: -804.161 Base-Backbone interact. energy: 3.172 local terms energy: -814.394397 where: bonds (distance) C4'-P energy: -157.894 bonds (distance) P-C4' energy: -141.026 flat angles C4'-P-C4' energy: -182.495 flat angles P-C4'-P energy: -128.025 tors. eta vs tors. theta energy: -204.955 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: 59 Temperature: 0.950000 Total energy: -2637.590701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.590701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.590701 (E_RNA) where: Base-Base interactions energy: -1846.888 where: short stacking energy: -798.971 Base-Backbone interact. energy: -4.476 local terms energy: -786.226208 where: bonds (distance) C4'-P energy: -160.823 bonds (distance) P-C4' energy: -153.394 flat angles C4'-P-C4' energy: -173.159 flat angles P-C4'-P energy: -99.736 tors. eta vs tors. theta energy: -199.114 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: 3, replica: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2435.294248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.294248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.294248 (E_RNA) where: Base-Base interactions energy: -1679.083 where: short stacking energy: -729.344 Base-Backbone interact. energy: -2.514 local terms energy: -753.697944 where: bonds (distance) C4'-P energy: -140.203 bonds (distance) P-C4' energy: -160.907 flat angles C4'-P-C4' energy: -156.311 flat angles P-C4'-P energy: -120.937 tors. eta vs tors. theta energy: -175.341 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: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2408.321626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.321626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.321626 (E_RNA) where: Base-Base interactions energy: -1663.786 where: short stacking energy: -758.705 Base-Backbone interact. energy: -0.837 local terms energy: -743.698336 where: bonds (distance) C4'-P energy: -145.065 bonds (distance) P-C4' energy: -148.857 flat angles C4'-P-C4' energy: -152.503 flat angles P-C4'-P energy: -93.840 tors. eta vs tors. theta energy: -203.434 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: 59 Temperature: 1.100000 Total energy: -2233.185262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.185262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.185262 (E_RNA) where: Base-Base interactions energy: -1524.881 where: short stacking energy: -697.049 Base-Backbone interact. energy: 2.410 local terms energy: -710.714672 where: bonds (distance) C4'-P energy: -144.189 bonds (distance) P-C4' energy: -139.551 flat angles C4'-P-C4' energy: -152.725 flat angles P-C4'-P energy: -102.322 tors. eta vs tors. theta energy: -171.927 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: 6, replica: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -2076.373048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.373048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.373048 (E_RNA) where: Base-Base interactions energy: -1390.391 where: short stacking energy: -636.388 Base-Backbone interact. energy: 0.600 local terms energy: -686.581415 where: bonds (distance) C4'-P energy: -126.239 bonds (distance) P-C4' energy: -132.455 flat angles C4'-P-C4' energy: -162.660 flat angles P-C4'-P energy: -109.252 tors. eta vs tors. theta energy: -155.975 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: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1973.161629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.161629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.161629 (E_RNA) where: Base-Base interactions energy: -1315.384 where: short stacking energy: -588.270 Base-Backbone interact. energy: -3.157 local terms energy: -654.620699 where: bonds (distance) C4'-P energy: -143.800 bonds (distance) P-C4' energy: -149.369 flat angles C4'-P-C4' energy: -150.220 flat angles P-C4'-P energy: -84.728 tors. eta vs tors. theta energy: -126.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1675.289495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.289495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.289495 (E_RNA) where: Base-Base interactions energy: -1081.300 where: short stacking energy: -494.751 Base-Backbone interact. energy: -2.840 local terms energy: -591.149641 where: bonds (distance) C4'-P energy: -124.909 bonds (distance) P-C4' energy: -134.951 flat angles C4'-P-C4' energy: -143.978 flat angles P-C4'-P energy: -92.899 tors. eta vs tors. theta energy: -94.413 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: 9, replica: 5 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1491.218627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.218627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.218627 (E_RNA) where: Base-Base interactions energy: -932.110 where: short stacking energy: -447.384 Base-Backbone interact. energy: -0.128 local terms energy: -558.980293 where: bonds (distance) C4'-P energy: -123.312 bonds (distance) P-C4' energy: -151.768 flat angles C4'-P-C4' energy: -129.034 flat angles P-C4'-P energy: -85.703 tors. eta vs tors. theta energy: -69.164 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: 1 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1032.831150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.831150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.831150 (E_RNA) where: Base-Base interactions energy: -593.481 where: short stacking energy: -320.965 Base-Backbone interact. energy: 3.687 local terms energy: -443.037914 where: bonds (distance) C4'-P energy: -114.391 bonds (distance) P-C4' energy: -125.489 flat angles C4'-P-C4' energy: -118.342 flat angles P-C4'-P energy: -63.413 tors. eta vs tors. theta energy: -21.403 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: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2691.720700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.720700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.720700 (E_RNA) where: Base-Base interactions energy: -1870.253 where: short stacking energy: -850.769 Base-Backbone interact. energy: 0.215 local terms energy: -821.683160 where: bonds (distance) C4'-P energy: -162.088 bonds (distance) P-C4' energy: -164.627 flat angles C4'-P-C4' energy: -169.045 flat angles P-C4'-P energy: -112.191 tors. eta vs tors. theta energy: -213.732 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: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2672.232949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.232949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.232949 (E_RNA) where: Base-Base interactions energy: -1859.359 where: short stacking energy: -804.398 Base-Backbone interact. energy: -0.933 local terms energy: -811.940425 where: bonds (distance) C4'-P energy: -151.789 bonds (distance) P-C4' energy: -167.395 flat angles C4'-P-C4' energy: -170.706 flat angles P-C4'-P energy: -120.298 tors. eta vs tors. theta energy: -201.752 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: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2461.137444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.137444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.137444 (E_RNA) where: Base-Base interactions energy: -1721.563 where: short stacking energy: -728.990 Base-Backbone interact. energy: -2.554 local terms energy: -737.020528 where: bonds (distance) C4'-P energy: -148.034 bonds (distance) P-C4' energy: -152.775 flat angles C4'-P-C4' energy: -154.780 flat angles P-C4'-P energy: -114.317 tors. eta vs tors. theta energy: -167.115 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: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2445.146784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.146784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.146784 (E_RNA) where: Base-Base interactions energy: -1670.406 where: short stacking energy: -771.127 Base-Backbone interact. energy: 0.255 local terms energy: -774.995489 where: bonds (distance) C4'-P energy: -151.073 bonds (distance) P-C4' energy: -152.470 flat angles C4'-P-C4' energy: -159.918 flat angles P-C4'-P energy: -103.942 tors. eta vs tors. theta energy: -207.593 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: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2298.098202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.098202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.098202 (E_RNA) where: Base-Base interactions energy: -1594.615 where: short stacking energy: -699.257 Base-Backbone interact. energy: 2.027 local terms energy: -705.510481 where: bonds (distance) C4'-P energy: -135.316 bonds (distance) P-C4' energy: -156.740 flat angles C4'-P-C4' energy: -166.690 flat angles P-C4'-P energy: -87.711 tors. eta vs tors. theta energy: -159.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2100.670324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.670324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.670324 (E_RNA) where: Base-Base interactions energy: -1442.543 where: short stacking energy: -633.679 Base-Backbone interact. energy: -3.759 local terms energy: -654.368233 where: bonds (distance) C4'-P energy: -135.927 bonds (distance) P-C4' energy: -116.450 flat angles C4'-P-C4' energy: -154.259 flat angles P-C4'-P energy: -87.344 tors. eta vs tors. theta energy: -160.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1894.339010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.339010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.339010 (E_RNA) where: Base-Base interactions energy: -1250.657 where: short stacking energy: -552.449 Base-Backbone interact. energy: -4.030 local terms energy: -639.651536 where: bonds (distance) C4'-P energy: -121.981 bonds (distance) P-C4' energy: -154.513 flat angles C4'-P-C4' energy: -151.730 flat angles P-C4'-P energy: -91.682 tors. eta vs tors. theta energy: -119.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1672.580921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.580921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.580921 (E_RNA) where: Base-Base interactions energy: -1058.752 where: short stacking energy: -495.546 Base-Backbone interact. energy: -0.837 local terms energy: -612.992240 where: bonds (distance) C4'-P energy: -127.306 bonds (distance) P-C4' energy: -135.679 flat angles C4'-P-C4' energy: -160.159 flat angles P-C4'-P energy: -89.530 tors. eta vs tors. theta energy: -100.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1460.876234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.876234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.876234 (E_RNA) where: Base-Base interactions energy: -907.886 where: short stacking energy: -430.962 Base-Backbone interact. energy: -2.965 local terms energy: -550.025842 where: bonds (distance) C4'-P energy: -124.083 bonds (distance) P-C4' energy: -136.965 flat angles C4'-P-C4' energy: -133.964 flat angles P-C4'-P energy: -87.556 tors. eta vs tors. theta energy: -67.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1067.827695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.827695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.827695 (E_RNA) where: Base-Base interactions energy: -606.145 where: short stacking energy: -327.632 Base-Backbone interact. energy: -1.453 local terms energy: -460.229705 where: bonds (distance) C4'-P energy: -143.404 bonds (distance) P-C4' energy: -123.646 flat angles C4'-P-C4' energy: -112.038 flat angles P-C4'-P energy: -55.662 tors. eta vs tors. theta energy: -25.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2700.913055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.913055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.913055 (E_RNA) where: Base-Base interactions energy: -1866.412 where: short stacking energy: -817.151 Base-Backbone interact. energy: -3.622 local terms energy: -830.879246 where: bonds (distance) C4'-P energy: -151.317 bonds (distance) P-C4' energy: -166.092 flat angles C4'-P-C4' energy: -177.598 flat angles P-C4'-P energy: -125.939 tors. eta vs tors. theta energy: -209.934 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: 61 Temperature: 0.950000 Total energy: -2671.587247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.587247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.587247 (E_RNA) where: Base-Base interactions energy: -1876.835 where: short stacking energy: -779.137 Base-Backbone interact. energy: -3.051 local terms energy: -791.701759 where: bonds (distance) C4'-P energy: -148.805 bonds (distance) P-C4' energy: -154.789 flat angles C4'-P-C4' energy: -185.025 flat angles P-C4'-P energy: -110.319 tors. eta vs tors. theta energy: -192.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2486.248629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.248629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.248629 (E_RNA) where: Base-Base interactions energy: -1689.150 where: short stacking energy: -742.373 Base-Backbone interact. energy: -0.062 local terms energy: -797.036710 where: bonds (distance) C4'-P energy: -150.926 bonds (distance) P-C4' energy: -162.688 flat angles C4'-P-C4' energy: -167.022 flat angles P-C4'-P energy: -127.810 tors. eta vs tors. theta energy: -188.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2434.509634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.509634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.509634 (E_RNA) where: Base-Base interactions energy: -1650.127 where: short stacking energy: -768.368 Base-Backbone interact. energy: -3.629 local terms energy: -780.753847 where: bonds (distance) C4'-P energy: -142.133 bonds (distance) P-C4' energy: -139.788 flat angles C4'-P-C4' energy: -178.227 flat angles P-C4'-P energy: -113.326 tors. eta vs tors. theta energy: -207.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2324.314120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.314120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.314120 (E_RNA) where: Base-Base interactions energy: -1610.061 where: short stacking energy: -721.808 Base-Backbone interact. energy: 4.344 local terms energy: -718.597396 where: bonds (distance) C4'-P energy: -154.074 bonds (distance) P-C4' energy: -152.773 flat angles C4'-P-C4' energy: -155.431 flat angles P-C4'-P energy: -91.839 tors. eta vs tors. theta energy: -164.480 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: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2067.563129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.563129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.563129 (E_RNA) where: Base-Base interactions energy: -1406.785 where: short stacking energy: -640.318 Base-Backbone interact. energy: -1.786 local terms energy: -658.991834 where: bonds (distance) C4'-P energy: -131.012 bonds (distance) P-C4' energy: -133.002 flat angles C4'-P-C4' energy: -143.865 flat angles P-C4'-P energy: -94.870 tors. eta vs tors. theta energy: -156.242 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: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1879.506556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.506556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.506556 (E_RNA) where: Base-Base interactions energy: -1259.536 where: short stacking energy: -591.003 Base-Backbone interact. energy: 3.920 local terms energy: -623.890832 where: bonds (distance) C4'-P energy: -142.562 bonds (distance) P-C4' energy: -142.288 flat angles C4'-P-C4' energy: -127.331 flat angles P-C4'-P energy: -72.908 tors. eta vs tors. theta energy: -138.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1606.110742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.110742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.110742 (E_RNA) where: Base-Base interactions energy: -1038.717 where: short stacking energy: -477.717 Base-Backbone interact. energy: 0.512 local terms energy: -567.905008 where: bonds (distance) C4'-P energy: -134.352 bonds (distance) P-C4' energy: -130.322 flat angles C4'-P-C4' energy: -127.020 flat angles P-C4'-P energy: -85.322 tors. eta vs tors. theta energy: -90.890 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: 5 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1449.149861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.149861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.149861 (E_RNA) where: Base-Base interactions energy: -944.429 where: short stacking energy: -473.727 Base-Backbone interact. energy: 3.518 local terms energy: -508.238818 where: bonds (distance) C4'-P energy: -100.397 bonds (distance) P-C4' energy: -120.541 flat angles C4'-P-C4' energy: -119.611 flat angles P-C4'-P energy: -67.955 tors. eta vs tors. theta energy: -99.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -986.328982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.328982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.328982 (E_RNA) where: Base-Base interactions energy: -581.181 where: short stacking energy: -298.167 Base-Backbone interact. energy: 3.357 local terms energy: -408.504927 where: bonds (distance) C4'-P energy: -126.752 bonds (distance) P-C4' energy: -126.707 flat angles C4'-P-C4' energy: -89.265 flat angles P-C4'-P energy: -80.377 tors. eta vs tors. theta energy: 14.596 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: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2692.167792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.167792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.167792 (E_RNA) where: Base-Base interactions energy: -1865.227 where: short stacking energy: -829.027 Base-Backbone interact. energy: -4.487 local terms energy: -822.454020 where: bonds (distance) C4'-P energy: -154.969 bonds (distance) P-C4' energy: -152.218 flat angles C4'-P-C4' energy: -179.137 flat angles P-C4'-P energy: -123.329 tors. eta vs tors. theta energy: -212.800 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: 62 Temperature: 0.950000 Total energy: -2646.059587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.059587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.059587 (E_RNA) where: Base-Base interactions energy: -1839.696 where: short stacking energy: -812.975 Base-Backbone interact. energy: -5.289 local terms energy: -801.074284 where: bonds (distance) C4'-P energy: -159.044 bonds (distance) P-C4' energy: -164.708 flat angles C4'-P-C4' energy: -181.666 flat angles P-C4'-P energy: -106.688 tors. eta vs tors. theta energy: -188.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2476.056915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.056915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.056915 (E_RNA) where: Base-Base interactions energy: -1713.364 where: short stacking energy: -736.937 Base-Backbone interact. energy: -0.991 local terms energy: -761.702097 where: bonds (distance) C4'-P energy: -150.401 bonds (distance) P-C4' energy: -140.642 flat angles C4'-P-C4' energy: -164.619 flat angles P-C4'-P energy: -124.895 tors. eta vs tors. theta energy: -181.146 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: 62 Temperature: 1.050000 Total energy: -2424.247679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.247679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.247679 (E_RNA) where: Base-Base interactions energy: -1633.229 where: short stacking energy: -775.097 Base-Backbone interact. energy: -1.885 local terms energy: -789.133002 where: bonds (distance) C4'-P energy: -148.761 bonds (distance) P-C4' energy: -151.671 flat angles C4'-P-C4' energy: -174.236 flat angles P-C4'-P energy: -118.245 tors. eta vs tors. theta energy: -196.220 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: 5, replica: 10 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2322.475463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.475463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.475463 (E_RNA) where: Base-Base interactions energy: -1638.453 where: short stacking energy: -699.600 Base-Backbone interact. energy: 3.135 local terms energy: -687.156795 where: bonds (distance) C4'-P energy: -143.043 bonds (distance) P-C4' energy: -134.796 flat angles C4'-P-C4' energy: -145.488 flat angles P-C4'-P energy: -101.780 tors. eta vs tors. theta energy: -162.050 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: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2132.875099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.875099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.875099 (E_RNA) where: Base-Base interactions energy: -1443.756 where: short stacking energy: -650.164 Base-Backbone interact. energy: -3.485 local terms energy: -685.634975 where: bonds (distance) C4'-P energy: -140.809 bonds (distance) P-C4' energy: -131.613 flat angles C4'-P-C4' energy: -154.410 flat angles P-C4'-P energy: -95.304 tors. eta vs tors. theta energy: -163.500 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: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1857.707516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.707516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.707516 (E_RNA) where: Base-Base interactions energy: -1225.546 where: short stacking energy: -563.752 Base-Backbone interact. energy: -4.107 local terms energy: -628.054541 where: bonds (distance) C4'-P energy: -142.464 bonds (distance) P-C4' energy: -128.468 flat angles C4'-P-C4' energy: -142.552 flat angles P-C4'-P energy: -82.248 tors. eta vs tors. theta energy: -132.323 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: 62 Temperature: 1.250000 Total energy: -1588.920870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.920870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.920870 (E_RNA) where: Base-Base interactions energy: -991.798 where: short stacking energy: -504.947 Base-Backbone interact. energy: -2.617 local terms energy: -594.505795 where: bonds (distance) C4'-P energy: -123.400 bonds (distance) P-C4' energy: -144.694 flat angles C4'-P-C4' energy: -145.778 flat angles P-C4'-P energy: -96.903 tors. eta vs tors. theta energy: -83.731 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: 9, replica: 5 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1363.633370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.633370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.633370 (E_RNA) where: Base-Base interactions energy: -840.163 where: short stacking energy: -370.812 Base-Backbone interact. energy: -0.590 local terms energy: -522.880209 where: bonds (distance) C4'-P energy: -133.378 bonds (distance) P-C4' energy: -126.378 flat angles C4'-P-C4' energy: -133.946 flat angles P-C4'-P energy: -69.548 tors. eta vs tors. theta energy: -59.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -956.678220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.678220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.678220 (E_RNA) where: Base-Base interactions energy: -569.689 where: short stacking energy: -305.393 Base-Backbone interact. energy: 1.139 local terms energy: -388.128377 where: bonds (distance) C4'-P energy: -127.302 bonds (distance) P-C4' energy: -110.160 flat angles C4'-P-C4' energy: -90.498 flat angles P-C4'-P energy: -66.424 tors. eta vs tors. theta energy: 6.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2714.028185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.028185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.028185 (E_RNA) where: Base-Base interactions energy: -1859.857 where: short stacking energy: -822.750 Base-Backbone interact. energy: -2.628 local terms energy: -851.542959 where: bonds (distance) C4'-P energy: -146.122 bonds (distance) P-C4' energy: -171.545 flat angles C4'-P-C4' energy: -184.719 flat angles P-C4'-P energy: -132.507 tors. eta vs tors. theta energy: -216.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2616.962418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.962418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.962418 (E_RNA) where: Base-Base interactions energy: -1838.275 where: short stacking energy: -785.076 Base-Backbone interact. energy: -4.219 local terms energy: -774.468477 where: bonds (distance) C4'-P energy: -155.858 bonds (distance) P-C4' energy: -151.515 flat angles C4'-P-C4' energy: -177.839 flat angles P-C4'-P energy: -100.037 tors. eta vs tors. theta energy: -189.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2472.376916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.376916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.376916 (E_RNA) where: Base-Base interactions energy: -1720.484 where: short stacking energy: -729.330 Base-Backbone interact. energy: -2.301 local terms energy: -749.592168 where: bonds (distance) C4'-P energy: -137.858 bonds (distance) P-C4' energy: -149.775 flat angles C4'-P-C4' energy: -170.983 flat angles P-C4'-P energy: -115.539 tors. eta vs tors. theta energy: -175.438 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: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2357.733118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.733118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.733118 (E_RNA) where: Base-Base interactions energy: -1590.064 where: short stacking energy: -744.802 Base-Backbone interact. energy: -1.720 local terms energy: -765.949297 where: bonds (distance) C4'-P energy: -153.330 bonds (distance) P-C4' energy: -154.034 flat angles C4'-P-C4' energy: -154.061 flat angles P-C4'-P energy: -109.229 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: 63 Temperature: 1.100000 Total energy: -2297.093211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.093211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.093211 (E_RNA) where: Base-Base interactions energy: -1621.822 where: short stacking energy: -717.711 Base-Backbone interact. energy: 2.387 local terms energy: -677.658031 where: bonds (distance) C4'-P energy: -130.432 bonds (distance) P-C4' energy: -130.570 flat angles C4'-P-C4' energy: -148.946 flat angles P-C4'-P energy: -99.571 tors. eta vs tors. theta energy: -168.139 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: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2145.059831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.059831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.059831 (E_RNA) where: Base-Base interactions energy: -1471.583 where: short stacking energy: -655.673 Base-Backbone interact. energy: 6.366 local terms energy: -679.842446 where: bonds (distance) C4'-P energy: -124.248 bonds (distance) P-C4' energy: -135.248 flat angles C4'-P-C4' energy: -159.900 flat angles P-C4'-P energy: -108.067 tors. eta vs tors. theta energy: -152.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1848.810546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.810546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.810546 (E_RNA) where: Base-Base interactions energy: -1252.933 where: short stacking energy: -565.122 Base-Backbone interact. energy: -1.926 local terms energy: -593.951699 where: bonds (distance) C4'-P energy: -105.119 bonds (distance) P-C4' energy: -120.793 flat angles C4'-P-C4' energy: -154.502 flat angles P-C4'-P energy: -83.214 tors. eta vs tors. theta energy: -130.323 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: 63 Temperature: 1.250000 Total energy: -1654.085634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.085634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.085634 (E_RNA) where: Base-Base interactions energy: -1068.213 where: short stacking energy: -484.523 Base-Backbone interact. energy: -4.425 local terms energy: -581.447249 where: bonds (distance) C4'-P energy: -143.374 bonds (distance) P-C4' energy: -127.175 flat angles C4'-P-C4' energy: -138.858 flat angles P-C4'-P energy: -76.049 tors. eta vs tors. theta energy: -95.992 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: 9, replica: 5 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1389.249682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.249682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.249682 (E_RNA) where: Base-Base interactions energy: -877.844 where: short stacking energy: -411.501 Base-Backbone interact. energy: -3.741 local terms energy: -507.665083 where: bonds (distance) C4'-P energy: -114.068 bonds (distance) P-C4' energy: -135.564 flat angles C4'-P-C4' energy: -120.502 flat angles P-C4'-P energy: -87.139 tors. eta vs tors. theta energy: -50.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1025.662464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.662464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.662464 (E_RNA) where: Base-Base interactions energy: -604.739 where: short stacking energy: -335.185 Base-Backbone interact. energy: 2.393 local terms energy: -423.316357 where: bonds (distance) C4'-P energy: -99.879 bonds (distance) P-C4' energy: -111.343 flat angles C4'-P-C4' energy: -110.174 flat angles P-C4'-P energy: -81.306 tors. eta vs tors. theta energy: -20.614 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: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2723.026048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.026048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.026048 (E_RNA) where: Base-Base interactions energy: -1869.245 where: short stacking energy: -826.892 Base-Backbone interact. energy: -3.437 local terms energy: -850.343158 where: bonds (distance) C4'-P energy: -165.774 bonds (distance) P-C4' energy: -174.725 flat angles C4'-P-C4' energy: -184.299 flat angles P-C4'-P energy: -121.299 tors. eta vs tors. theta energy: -204.247 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: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2625.060712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.060712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.060712 (E_RNA) where: Base-Base interactions energy: -1847.809 where: short stacking energy: -793.790 Base-Backbone interact. energy: -3.625 local terms energy: -773.626382 where: bonds (distance) C4'-P energy: -161.904 bonds (distance) P-C4' energy: -144.580 flat angles C4'-P-C4' energy: -168.999 flat angles P-C4'-P energy: -107.009 tors. eta vs tors. theta energy: -191.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2500.629901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.629901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.629901 (E_RNA) where: Base-Base interactions energy: -1701.307 where: short stacking energy: -742.078 Base-Backbone interact. energy: -4.802 local terms energy: -794.521162 where: bonds (distance) C4'-P energy: -142.895 bonds (distance) P-C4' energy: -178.338 flat angles C4'-P-C4' energy: -164.987 flat angles P-C4'-P energy: -121.840 tors. eta vs tors. theta energy: -186.462 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: 4, replica: 7 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2434.599077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.599077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.599077 (E_RNA) where: Base-Base interactions energy: -1666.520 where: short stacking energy: -760.748 Base-Backbone interact. energy: -2.829 local terms energy: -765.250642 where: bonds (distance) C4'-P energy: -144.598 bonds (distance) P-C4' energy: -144.381 flat angles C4'-P-C4' energy: -171.841 flat angles P-C4'-P energy: -105.138 tors. eta vs tors. theta energy: -199.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2302.996159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.996159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.996159 (E_RNA) where: Base-Base interactions energy: -1584.684 where: short stacking energy: -703.216 Base-Backbone interact. energy: -4.691 local terms energy: -713.621935 where: bonds (distance) C4'-P energy: -143.598 bonds (distance) P-C4' energy: -138.557 flat angles C4'-P-C4' energy: -167.525 flat angles P-C4'-P energy: -93.811 tors. eta vs tors. theta energy: -170.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -2096.559318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.559318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.559318 (E_RNA) where: Base-Base interactions energy: -1435.636 where: short stacking energy: -635.409 Base-Backbone interact. energy: -3.047 local terms energy: -657.875646 where: bonds (distance) C4'-P energy: -128.997 bonds (distance) P-C4' energy: -126.437 flat angles C4'-P-C4' energy: -145.031 flat angles P-C4'-P energy: -108.926 tors. eta vs tors. theta energy: -148.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1933.110952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.110952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.110952 (E_RNA) where: Base-Base interactions energy: -1304.988 where: short stacking energy: -620.786 Base-Backbone interact. energy: -1.161 local terms energy: -626.962793 where: bonds (distance) C4'-P energy: -124.050 bonds (distance) P-C4' energy: -133.132 flat angles C4'-P-C4' energy: -164.760 flat angles P-C4'-P energy: -79.794 tors. eta vs tors. theta energy: -125.227 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: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1693.163377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.163377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.163377 (E_RNA) where: Base-Base interactions energy: -1103.784 where: short stacking energy: -518.172 Base-Backbone interact. energy: -3.709 local terms energy: -585.670415 where: bonds (distance) C4'-P energy: -133.390 bonds (distance) P-C4' energy: -146.144 flat angles C4'-P-C4' energy: -133.851 flat angles P-C4'-P energy: -75.395 tors. eta vs tors. theta energy: -96.890 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: 5 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1415.768103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.768103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.768103 (E_RNA) where: Base-Base interactions energy: -893.496 where: short stacking energy: -419.889 Base-Backbone interact. energy: 3.053 local terms energy: -525.325189 where: bonds (distance) C4'-P energy: -135.687 bonds (distance) P-C4' energy: -141.025 flat angles C4'-P-C4' energy: -115.189 flat angles P-C4'-P energy: -67.403 tors. eta vs tors. theta energy: -66.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1083.258979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.258979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.258979 (E_RNA) where: Base-Base interactions energy: -587.562 where: short stacking energy: -320.690 Base-Backbone interact. energy: -5.350 local terms energy: -490.346395 where: bonds (distance) C4'-P energy: -129.780 bonds (distance) P-C4' energy: -127.528 flat angles C4'-P-C4' energy: -126.945 flat angles P-C4'-P energy: -66.158 tors. eta vs tors. theta energy: -39.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2738.566550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.566550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.566550 (E_RNA) where: Base-Base interactions energy: -1889.356 where: short stacking energy: -821.122 Base-Backbone interact. energy: -2.442 local terms energy: -846.768696 where: bonds (distance) C4'-P energy: -161.734 bonds (distance) P-C4' energy: -163.814 flat angles C4'-P-C4' energy: -187.421 flat angles P-C4'-P energy: -128.580 tors. eta vs tors. theta energy: -205.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2594.652227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.652227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.652227 (E_RNA) where: Base-Base interactions energy: -1797.290 where: short stacking energy: -778.494 Base-Backbone interact. energy: -6.847 local terms energy: -790.515815 where: bonds (distance) C4'-P energy: -159.872 bonds (distance) P-C4' energy: -169.304 flat angles C4'-P-C4' energy: -162.564 flat angles P-C4'-P energy: -112.213 tors. eta vs tors. theta energy: -186.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2514.049573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.049573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.049573 (E_RNA) where: Base-Base interactions energy: -1763.033 where: short stacking energy: -738.258 Base-Backbone interact. energy: -0.094 local terms energy: -750.923103 where: bonds (distance) C4'-P energy: -139.643 bonds (distance) P-C4' energy: -165.920 flat angles C4'-P-C4' energy: -161.989 flat angles P-C4'-P energy: -98.982 tors. eta vs tors. theta energy: -184.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2464.407380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.407380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.407380 (E_RNA) where: Base-Base interactions energy: -1663.773 where: short stacking energy: -761.637 Base-Backbone interact. energy: -1.510 local terms energy: -799.124040 where: bonds (distance) C4'-P energy: -143.340 bonds (distance) P-C4' energy: -162.810 flat angles C4'-P-C4' energy: -166.306 flat angles P-C4'-P energy: -107.773 tors. eta vs tors. theta energy: -218.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2293.748763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.748763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.748763 (E_RNA) where: Base-Base interactions energy: -1605.771 where: short stacking energy: -704.958 Base-Backbone interact. energy: 2.691 local terms energy: -690.668817 where: bonds (distance) C4'-P energy: -128.536 bonds (distance) P-C4' energy: -146.734 flat angles C4'-P-C4' energy: -166.996 flat angles P-C4'-P energy: -92.225 tors. eta vs tors. theta energy: -156.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -2114.644258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.644258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.644258 (E_RNA) where: Base-Base interactions energy: -1442.293 where: short stacking energy: -660.349 Base-Backbone interact. energy: 0.572 local terms energy: -672.923237 where: bonds (distance) C4'-P energy: -128.523 bonds (distance) P-C4' energy: -129.707 flat angles C4'-P-C4' energy: -156.030 flat angles P-C4'-P energy: -92.610 tors. eta vs tors. theta energy: -166.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1915.561916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.561916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.561916 (E_RNA) where: Base-Base interactions energy: -1323.378 where: short stacking energy: -557.027 Base-Backbone interact. energy: 0.790 local terms energy: -592.973691 where: bonds (distance) C4'-P energy: -127.005 bonds (distance) P-C4' energy: -116.574 flat angles C4'-P-C4' energy: -140.880 flat angles P-C4'-P energy: -96.042 tors. eta vs tors. theta energy: -112.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1698.625689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.625689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.625689 (E_RNA) where: Base-Base interactions energy: -1085.787 where: short stacking energy: -518.398 Base-Backbone interact. energy: -3.198 local terms energy: -609.640597 where: bonds (distance) C4'-P energy: -124.317 bonds (distance) P-C4' energy: -149.817 flat angles C4'-P-C4' energy: -146.129 flat angles P-C4'-P energy: -80.495 tors. eta vs tors. theta energy: -108.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1443.435797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.435797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.435797 (E_RNA) where: Base-Base interactions energy: -880.689 where: short stacking energy: -427.066 Base-Backbone interact. energy: 0.432 local terms energy: -563.178673 where: bonds (distance) C4'-P energy: -126.498 bonds (distance) P-C4' energy: -137.760 flat angles C4'-P-C4' energy: -141.808 flat angles P-C4'-P energy: -79.225 tors. eta vs tors. theta energy: -77.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1068.590560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.590560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.590560 (E_RNA) where: Base-Base interactions energy: -590.237 where: short stacking energy: -331.280 Base-Backbone interact. energy: -2.053 local terms energy: -476.300011 where: bonds (distance) C4'-P energy: -112.936 bonds (distance) P-C4' energy: -136.745 flat angles C4'-P-C4' energy: -130.419 flat angles P-C4'-P energy: -52.392 tors. eta vs tors. theta energy: -43.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2713.167167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.167167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.167167 (E_RNA) where: Base-Base interactions energy: -1882.853 where: short stacking energy: -823.027 Base-Backbone interact. energy: -6.202 local terms energy: -824.112694 where: bonds (distance) C4'-P energy: -160.760 bonds (distance) P-C4' energy: -163.120 flat angles C4'-P-C4' energy: -191.776 flat angles P-C4'-P energy: -98.781 tors. eta vs tors. theta energy: -209.677 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: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2658.256533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.256533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.256533 (E_RNA) where: Base-Base interactions energy: -1839.999 where: short stacking energy: -786.085 Base-Backbone interact. energy: -2.492 local terms energy: -815.765783 where: bonds (distance) C4'-P energy: -161.786 bonds (distance) P-C4' energy: -148.550 flat angles C4'-P-C4' energy: -180.190 flat angles P-C4'-P energy: -117.671 tors. eta vs tors. theta energy: -207.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2479.540554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.540554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.540554 (E_RNA) where: Base-Base interactions energy: -1734.789 where: short stacking energy: -735.222 Base-Backbone interact. energy: -2.929 local terms energy: -741.822647 where: bonds (distance) C4'-P energy: -148.063 bonds (distance) P-C4' energy: -150.105 flat angles C4'-P-C4' energy: -147.613 flat angles P-C4'-P energy: -118.439 tors. eta vs tors. theta energy: -177.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2424.958574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.958574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.958574 (E_RNA) where: Base-Base interactions energy: -1623.705 where: short stacking energy: -752.203 Base-Backbone interact. energy: -0.528 local terms energy: -800.725148 where: bonds (distance) C4'-P energy: -157.353 bonds (distance) P-C4' energy: -160.807 flat angles C4'-P-C4' energy: -167.308 flat angles P-C4'-P energy: -117.649 tors. eta vs tors. theta energy: -197.608 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: 66 Temperature: 1.100000 Total energy: -2279.019443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.019443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.019443 (E_RNA) where: Base-Base interactions energy: -1560.154 where: short stacking energy: -685.207 Base-Backbone interact. energy: -3.983 local terms energy: -714.882083 where: bonds (distance) C4'-P energy: -140.650 bonds (distance) P-C4' energy: -136.902 flat angles C4'-P-C4' energy: -151.789 flat angles P-C4'-P energy: -124.243 tors. eta vs tors. theta energy: -161.298 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: 6, replica: 4 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2138.095101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.095101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.095101 (E_RNA) where: Base-Base interactions energy: -1467.967 where: short stacking energy: -667.103 Base-Backbone interact. energy: -0.879 local terms energy: -669.248804 where: bonds (distance) C4'-P energy: -121.445 bonds (distance) P-C4' energy: -142.749 flat angles C4'-P-C4' energy: -161.345 flat angles P-C4'-P energy: -92.930 tors. eta vs tors. theta energy: -150.780 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: 66 Temperature: 1.200000 Total energy: -1919.962628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.962628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.962628 (E_RNA) where: Base-Base interactions energy: -1301.857 where: short stacking energy: -566.864 Base-Backbone interact. energy: 2.428 local terms energy: -620.533391 where: bonds (distance) C4'-P energy: -130.948 bonds (distance) P-C4' energy: -139.090 flat angles C4'-P-C4' energy: -144.538 flat angles P-C4'-P energy: -92.226 tors. eta vs tors. theta energy: -113.731 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: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1695.225047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.225047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.225047 (E_RNA) where: Base-Base interactions energy: -1124.127 where: short stacking energy: -524.776 Base-Backbone interact. energy: 1.597 local terms energy: -572.694814 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -125.475 flat angles C4'-P-C4' energy: -136.736 flat angles P-C4'-P energy: -75.237 tors. eta vs tors. theta energy: -110.060 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: 5 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1493.145452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.145452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.145452 (E_RNA) where: Base-Base interactions energy: -974.339 where: short stacking energy: -406.262 Base-Backbone interact. energy: -2.961 local terms energy: -515.845566 where: bonds (distance) C4'-P energy: -111.929 bonds (distance) P-C4' energy: -141.415 flat angles C4'-P-C4' energy: -131.033 flat angles P-C4'-P energy: -77.642 tors. eta vs tors. theta energy: -53.826 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: 66 Temperature: 1.350000 Total energy: -1101.586974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.586974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.586974 (E_RNA) where: Base-Base interactions energy: -624.724 where: short stacking energy: -344.219 Base-Backbone interact. energy: 2.568 local terms energy: -479.430681 where: bonds (distance) C4'-P energy: -129.503 bonds (distance) P-C4' energy: -130.374 flat angles C4'-P-C4' energy: -117.446 flat angles P-C4'-P energy: -72.272 tors. eta vs tors. theta energy: -29.836 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: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2700.020800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.020800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.020800 (E_RNA) where: Base-Base interactions energy: -1872.986 where: short stacking energy: -827.829 Base-Backbone interact. energy: -2.784 local terms energy: -824.250856 where: bonds (distance) C4'-P energy: -149.829 bonds (distance) P-C4' energy: -167.500 flat angles C4'-P-C4' energy: -185.663 flat angles P-C4'-P energy: -112.409 tors. eta vs tors. theta energy: -208.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2670.733032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.733032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.733032 (E_RNA) where: Base-Base interactions energy: -1882.844 where: short stacking energy: -807.978 Base-Backbone interact. energy: -3.055 local terms energy: -784.834972 where: bonds (distance) C4'-P energy: -136.181 bonds (distance) P-C4' energy: -164.742 flat angles C4'-P-C4' energy: -166.634 flat angles P-C4'-P energy: -119.491 tors. eta vs tors. theta energy: -197.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2506.569519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.569519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.569519 (E_RNA) where: Base-Base interactions energy: -1751.768 where: short stacking energy: -758.092 Base-Backbone interact. energy: -2.930 local terms energy: -751.871558 where: bonds (distance) C4'-P energy: -149.230 bonds (distance) P-C4' energy: -142.869 flat angles C4'-P-C4' energy: -158.185 flat angles P-C4'-P energy: -117.190 tors. eta vs tors. theta energy: -184.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2380.223006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.223006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.223006 (E_RNA) where: Base-Base interactions energy: -1622.080 where: short stacking energy: -759.177 Base-Backbone interact. energy: -2.379 local terms energy: -755.763487 where: bonds (distance) C4'-P energy: -145.444 bonds (distance) P-C4' energy: -153.411 flat angles C4'-P-C4' energy: -164.095 flat angles P-C4'-P energy: -100.294 tors. eta vs tors. theta energy: -192.520 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: 10 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2279.183043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.183043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.183043 (E_RNA) where: Base-Base interactions energy: -1524.172 where: short stacking energy: -712.729 Base-Backbone interact. energy: -5.818 local terms energy: -749.193191 where: bonds (distance) C4'-P energy: -162.830 bonds (distance) P-C4' energy: -150.106 flat angles C4'-P-C4' energy: -159.793 flat angles P-C4'-P energy: -91.103 tors. eta vs tors. theta energy: -185.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2173.735337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.735337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.735337 (E_RNA) where: Base-Base interactions energy: -1469.394 where: short stacking energy: -670.298 Base-Backbone interact. energy: -2.583 local terms energy: -701.758228 where: bonds (distance) C4'-P energy: -152.253 bonds (distance) P-C4' energy: -125.059 flat angles C4'-P-C4' energy: -149.406 flat angles P-C4'-P energy: -102.104 tors. eta vs tors. theta energy: -172.936 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: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1978.697252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.697252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.697252 (E_RNA) where: Base-Base interactions energy: -1345.903 where: short stacking energy: -594.496 Base-Backbone interact. energy: -1.191 local terms energy: -631.603395 where: bonds (distance) C4'-P energy: -137.162 bonds (distance) P-C4' energy: -136.608 flat angles C4'-P-C4' energy: -145.635 flat angles P-C4'-P energy: -74.856 tors. eta vs tors. theta energy: -137.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1735.722648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.722648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.722648 (E_RNA) where: Base-Base interactions energy: -1156.167 where: short stacking energy: -491.631 Base-Backbone interact. energy: 1.430 local terms energy: -580.985714 where: bonds (distance) C4'-P energy: -135.091 bonds (distance) P-C4' energy: -137.977 flat angles C4'-P-C4' energy: -122.033 flat angles P-C4'-P energy: -84.249 tors. eta vs tors. theta energy: -101.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1548.076759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.076759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.076759 (E_RNA) where: Base-Base interactions energy: -1024.700 where: short stacking energy: -463.469 Base-Backbone interact. energy: -2.259 local terms energy: -521.117855 where: bonds (distance) C4'-P energy: -109.199 bonds (distance) P-C4' energy: -122.903 flat angles C4'-P-C4' energy: -148.191 flat angles P-C4'-P energy: -69.015 tors. eta vs tors. theta energy: -71.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1165.771426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.771426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.771426 (E_RNA) where: Base-Base interactions energy: -691.999 where: short stacking energy: -368.209 Base-Backbone interact. energy: -0.033 local terms energy: -473.738884 where: bonds (distance) C4'-P energy: -126.796 bonds (distance) P-C4' energy: -114.878 flat angles C4'-P-C4' energy: -113.047 flat angles P-C4'-P energy: -61.141 tors. eta vs tors. theta energy: -57.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2750.924045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.924045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.924045 (E_RNA) where: Base-Base interactions energy: -1908.329 where: short stacking energy: -836.528 Base-Backbone interact. energy: -1.842 local terms energy: -840.752203 where: bonds (distance) C4'-P energy: -152.894 bonds (distance) P-C4' energy: -168.514 flat angles C4'-P-C4' energy: -179.336 flat angles P-C4'-P energy: -122.274 tors. eta vs tors. theta energy: -217.735 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: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2636.698553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.698553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.698553 (E_RNA) where: Base-Base interactions energy: -1850.712 where: short stacking energy: -810.336 Base-Backbone interact. energy: -3.219 local terms energy: -782.767394 where: bonds (distance) C4'-P energy: -145.894 bonds (distance) P-C4' energy: -154.916 flat angles C4'-P-C4' energy: -169.968 flat angles P-C4'-P energy: -120.839 tors. eta vs tors. theta energy: -191.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2479.296031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.296031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.296031 (E_RNA) where: Base-Base interactions energy: -1733.310 where: short stacking energy: -738.311 Base-Backbone interact. energy: 1.623 local terms energy: -747.609400 where: bonds (distance) C4'-P energy: -138.571 bonds (distance) P-C4' energy: -149.637 flat angles C4'-P-C4' energy: -160.635 flat angles P-C4'-P energy: -118.477 tors. eta vs tors. theta energy: -180.290 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: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2435.398514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.398514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.398514 (E_RNA) where: Base-Base interactions energy: -1669.908 where: short stacking energy: -751.802 Base-Backbone interact. energy: -5.317 local terms energy: -760.174047 where: bonds (distance) C4'-P energy: -131.753 bonds (distance) P-C4' energy: -137.691 flat angles C4'-P-C4' energy: -180.575 flat angles P-C4'-P energy: -119.888 tors. eta vs tors. theta energy: -190.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2311.216658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.216658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.216658 (E_RNA) where: Base-Base interactions energy: -1583.285 where: short stacking energy: -736.100 Base-Backbone interact. energy: -0.657 local terms energy: -727.274091 where: bonds (distance) C4'-P energy: -117.051 bonds (distance) P-C4' energy: -148.802 flat angles C4'-P-C4' energy: -169.898 flat angles P-C4'-P energy: -101.898 tors. eta vs tors. theta energy: -189.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2193.249397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.249397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.249397 (E_RNA) where: Base-Base interactions energy: -1509.953 where: short stacking energy: -674.407 Base-Backbone interact. energy: -0.691 local terms energy: -682.604937 where: bonds (distance) C4'-P energy: -144.738 bonds (distance) P-C4' energy: -142.870 flat angles C4'-P-C4' energy: -145.263 flat angles P-C4'-P energy: -88.701 tors. eta vs tors. theta energy: -161.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1949.373330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.373330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.373330 (E_RNA) where: Base-Base interactions energy: -1313.130 where: short stacking energy: -572.894 Base-Backbone interact. energy: -6.213 local terms energy: -630.030095 where: bonds (distance) C4'-P energy: -124.700 bonds (distance) P-C4' energy: -137.274 flat angles C4'-P-C4' energy: -140.388 flat angles P-C4'-P energy: -89.116 tors. eta vs tors. theta energy: -138.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1814.017255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.017255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.017255 (E_RNA) where: Base-Base interactions energy: -1200.235 where: short stacking energy: -539.856 Base-Backbone interact. energy: -1.431 local terms energy: -612.351314 where: bonds (distance) C4'-P energy: -132.156 bonds (distance) P-C4' energy: -135.521 flat angles C4'-P-C4' energy: -143.201 flat angles P-C4'-P energy: -77.490 tors. eta vs tors. theta energy: -123.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1482.012608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.012608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.012608 (E_RNA) where: Base-Base interactions energy: -950.721 where: short stacking energy: -423.724 Base-Backbone interact. energy: 1.057 local terms energy: -532.347808 where: bonds (distance) C4'-P energy: -127.804 bonds (distance) P-C4' energy: -122.261 flat angles C4'-P-C4' energy: -123.369 flat angles P-C4'-P energy: -70.243 tors. eta vs tors. theta energy: -88.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1080.040898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.040898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.040898 (E_RNA) where: Base-Base interactions energy: -610.712 where: short stacking energy: -328.431 Base-Backbone interact. energy: 4.073 local terms energy: -473.402361 where: bonds (distance) C4'-P energy: -118.262 bonds (distance) P-C4' energy: -133.666 flat angles C4'-P-C4' energy: -126.203 flat angles P-C4'-P energy: -74.586 tors. eta vs tors. theta energy: -20.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2780.179710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.179710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.179710 (E_RNA) where: Base-Base interactions energy: -1953.028 where: short stacking energy: -839.585 Base-Backbone interact. energy: -5.100 local terms energy: -822.051831 where: bonds (distance) C4'-P energy: -162.931 bonds (distance) P-C4' energy: -161.651 flat angles C4'-P-C4' energy: -170.891 flat angles P-C4'-P energy: -110.309 tors. eta vs tors. theta energy: -216.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2680.370043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.370043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.370043 (E_RNA) where: Base-Base interactions energy: -1860.020 where: short stacking energy: -813.293 Base-Backbone interact. energy: 0.247 local terms energy: -820.597048 where: bonds (distance) C4'-P energy: -161.623 bonds (distance) P-C4' energy: -159.347 flat angles C4'-P-C4' energy: -186.486 flat angles P-C4'-P energy: -105.416 tors. eta vs tors. theta energy: -207.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2480.876993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.876993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.876993 (E_RNA) where: Base-Base interactions energy: -1729.255 where: short stacking energy: -764.175 Base-Backbone interact. energy: -5.374 local terms energy: -746.248303 where: bonds (distance) C4'-P energy: -144.267 bonds (distance) P-C4' energy: -140.392 flat angles C4'-P-C4' energy: -157.910 flat angles P-C4'-P energy: -111.997 tors. eta vs tors. theta energy: -191.682 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: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2382.102095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.102095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.102095 (E_RNA) where: Base-Base interactions energy: -1607.025 where: short stacking energy: -724.055 Base-Backbone interact. energy: -2.824 local terms energy: -772.252797 where: bonds (distance) C4'-P energy: -166.235 bonds (distance) P-C4' energy: -135.052 flat angles C4'-P-C4' energy: -180.807 flat angles P-C4'-P energy: -104.830 tors. eta vs tors. theta energy: -185.329 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: 5, replica: 10 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2334.559179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.559179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.559179 (E_RNA) where: Base-Base interactions energy: -1594.641 where: short stacking energy: -710.155 Base-Backbone interact. energy: -4.791 local terms energy: -735.127907 where: bonds (distance) C4'-P energy: -127.980 bonds (distance) P-C4' energy: -156.345 flat angles C4'-P-C4' energy: -170.151 flat angles P-C4'-P energy: -99.324 tors. eta vs tors. theta energy: -181.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2181.325489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.325489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.325489 (E_RNA) where: Base-Base interactions energy: -1483.816 where: short stacking energy: -661.023 Base-Backbone interact. energy: 1.158 local terms energy: -698.667254 where: bonds (distance) C4'-P energy: -136.062 bonds (distance) P-C4' energy: -129.096 flat angles C4'-P-C4' energy: -153.311 flat angles P-C4'-P energy: -106.622 tors. eta vs tors. theta energy: -173.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1953.320103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.320103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.320103 (E_RNA) where: Base-Base interactions energy: -1302.080 where: short stacking energy: -561.432 Base-Backbone interact. energy: 0.274 local terms energy: -651.514703 where: bonds (distance) C4'-P energy: -118.467 bonds (distance) P-C4' energy: -157.369 flat angles C4'-P-C4' energy: -163.486 flat angles P-C4'-P energy: -81.754 tors. eta vs tors. theta energy: -130.439 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: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1827.882022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.882022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.882022 (E_RNA) where: Base-Base interactions energy: -1241.484 where: short stacking energy: -590.802 Base-Backbone interact. energy: 5.249 local terms energy: -591.647186 where: bonds (distance) C4'-P energy: -129.299 bonds (distance) P-C4' energy: -129.561 flat angles C4'-P-C4' energy: -133.289 flat angles P-C4'-P energy: -74.130 tors. eta vs tors. theta energy: -125.368 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: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1425.792174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.792174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.792174 (E_RNA) where: Base-Base interactions energy: -915.783 where: short stacking energy: -411.042 Base-Backbone interact. energy: 0.366 local terms energy: -510.374884 where: bonds (distance) C4'-P energy: -139.446 bonds (distance) P-C4' energy: -126.078 flat angles C4'-P-C4' energy: -129.614 flat angles P-C4'-P energy: -62.437 tors. eta vs tors. theta energy: -52.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1089.226257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.226257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.226257 (E_RNA) where: Base-Base interactions energy: -609.963 where: short stacking energy: -322.932 Base-Backbone interact. energy: -1.774 local terms energy: -477.489860 where: bonds (distance) C4'-P energy: -135.497 bonds (distance) P-C4' energy: -145.774 flat angles C4'-P-C4' energy: -115.642 flat angles P-C4'-P energy: -77.692 tors. eta vs tors. theta energy: -2.885 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: 70 Temperature: 0.900000 Total energy: -2761.551123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.551123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.551123 (E_RNA) where: Base-Base interactions energy: -1928.187 where: short stacking energy: -847.051 Base-Backbone interact. energy: 0.493 local terms energy: -833.857290 where: bonds (distance) C4'-P energy: -162.737 bonds (distance) P-C4' energy: -158.931 flat angles C4'-P-C4' energy: -169.198 flat angles P-C4'-P energy: -121.018 tors. eta vs tors. theta energy: -221.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2599.402833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.402833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.402833 (E_RNA) where: Base-Base interactions energy: -1789.995 where: short stacking energy: -822.355 Base-Backbone interact. energy: 3.772 local terms energy: -813.180161 where: bonds (distance) C4'-P energy: -150.717 bonds (distance) P-C4' energy: -147.645 flat angles C4'-P-C4' energy: -183.668 flat angles P-C4'-P energy: -124.352 tors. eta vs tors. theta energy: -206.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2490.126210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.126210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.126210 (E_RNA) where: Base-Base interactions energy: -1734.231 where: short stacking energy: -756.504 Base-Backbone interact. energy: -4.546 local terms energy: -751.349257 where: bonds (distance) C4'-P energy: -155.809 bonds (distance) P-C4' energy: -150.256 flat angles C4'-P-C4' energy: -163.631 flat angles P-C4'-P energy: -95.001 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: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2424.655137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.655137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.655137 (E_RNA) where: Base-Base interactions energy: -1683.414 where: short stacking energy: -762.127 Base-Backbone interact. energy: 2.819 local terms energy: -744.060184 where: bonds (distance) C4'-P energy: -143.886 bonds (distance) P-C4' energy: -137.551 flat angles C4'-P-C4' energy: -165.233 flat angles P-C4'-P energy: -110.722 tors. eta vs tors. theta energy: -186.669 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: 70 Temperature: 1.100000 Total energy: -2260.683826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.683826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.683826 (E_RNA) where: Base-Base interactions energy: -1566.144 where: short stacking energy: -715.795 Base-Backbone interact. energy: 0.007 local terms energy: -694.547704 where: bonds (distance) C4'-P energy: -134.343 bonds (distance) P-C4' energy: -158.863 flat angles C4'-P-C4' energy: -156.050 flat angles P-C4'-P energy: -89.627 tors. eta vs tors. theta energy: -155.664 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: 6, replica: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2151.238541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.238541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.238541 (E_RNA) where: Base-Base interactions energy: -1476.140 where: short stacking energy: -660.169 Base-Backbone interact. energy: 8.087 local terms energy: -683.184897 where: bonds (distance) C4'-P energy: -141.233 bonds (distance) P-C4' energy: -142.827 flat angles C4'-P-C4' energy: -143.394 flat angles P-C4'-P energy: -86.217 tors. eta vs tors. theta energy: -169.514 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: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1991.638947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.638947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.638947 (E_RNA) where: Base-Base interactions energy: -1337.497 where: short stacking energy: -571.820 Base-Backbone interact. energy: -0.678 local terms energy: -653.463522 where: bonds (distance) C4'-P energy: -119.595 bonds (distance) P-C4' energy: -145.546 flat angles C4'-P-C4' energy: -163.047 flat angles P-C4'-P energy: -98.580 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: 8, replica: 9 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1730.625051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.625051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.625051 (E_RNA) where: Base-Base interactions energy: -1119.092 where: short stacking energy: -516.537 Base-Backbone interact. energy: 1.283 local terms energy: -612.816042 where: bonds (distance) C4'-P energy: -122.324 bonds (distance) P-C4' energy: -134.099 flat angles C4'-P-C4' energy: -137.172 flat angles P-C4'-P energy: -97.267 tors. eta vs tors. theta energy: -121.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1520.141191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.141191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.141191 (E_RNA) where: Base-Base interactions energy: -953.315 where: short stacking energy: -437.091 Base-Backbone interact. energy: -1.292 local terms energy: -565.534280 where: bonds (distance) C4'-P energy: -139.626 bonds (distance) P-C4' energy: -136.304 flat angles C4'-P-C4' energy: -130.760 flat angles P-C4'-P energy: -80.097 tors. eta vs tors. theta energy: -78.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1199.355566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.355566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.355566 (E_RNA) where: Base-Base interactions energy: -720.118 where: short stacking energy: -369.257 Base-Backbone interact. energy: -5.357 local terms energy: -473.880397 where: bonds (distance) C4'-P energy: -108.768 bonds (distance) P-C4' energy: -120.710 flat angles C4'-P-C4' energy: -116.371 flat angles P-C4'-P energy: -90.894 tors. eta vs tors. theta energy: -37.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2782.075704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.075704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.075704 (E_RNA) where: Base-Base interactions energy: -1942.180 where: short stacking energy: -844.213 Base-Backbone interact. energy: -0.754 local terms energy: -839.141582 where: bonds (distance) C4'-P energy: -159.667 bonds (distance) P-C4' energy: -167.842 flat angles C4'-P-C4' energy: -184.392 flat angles P-C4'-P energy: -112.871 tors. eta vs tors. theta energy: -214.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2579.876546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.876546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.876546 (E_RNA) where: Base-Base interactions energy: -1764.948 where: short stacking energy: -805.405 Base-Backbone interact. energy: -5.118 local terms energy: -809.809645 where: bonds (distance) C4'-P energy: -154.717 bonds (distance) P-C4' energy: -158.957 flat angles C4'-P-C4' energy: -184.690 flat angles P-C4'-P energy: -100.390 tors. eta vs tors. theta energy: -211.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2519.077212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.077212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.077212 (E_RNA) where: Base-Base interactions energy: -1744.499 where: short stacking energy: -777.063 Base-Backbone interact. energy: -1.138 local terms energy: -773.440693 where: bonds (distance) C4'-P energy: -147.408 bonds (distance) P-C4' energy: -131.749 flat angles C4'-P-C4' energy: -176.710 flat angles P-C4'-P energy: -112.041 tors. eta vs tors. theta energy: -205.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2423.080170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.080170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.080170 (E_RNA) where: Base-Base interactions energy: -1678.490 where: short stacking energy: -763.913 Base-Backbone interact. energy: 1.423 local terms energy: -746.013080 where: bonds (distance) C4'-P energy: -144.242 bonds (distance) P-C4' energy: -149.295 flat angles C4'-P-C4' energy: -162.816 flat angles P-C4'-P energy: -97.607 tors. eta vs tors. theta energy: -192.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2298.141391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.141391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.141391 (E_RNA) where: Base-Base interactions energy: -1572.095 where: short stacking energy: -686.959 Base-Backbone interact. energy: -4.267 local terms energy: -721.778906 where: bonds (distance) C4'-P energy: -133.021 bonds (distance) P-C4' energy: -143.632 flat angles C4'-P-C4' energy: -161.262 flat angles P-C4'-P energy: -107.266 tors. eta vs tors. theta energy: -176.598 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: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2116.767762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.767762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.767762 (E_RNA) where: Base-Base interactions energy: -1451.546 where: short stacking energy: -612.026 Base-Backbone interact. energy: -3.536 local terms energy: -661.685265 where: bonds (distance) C4'-P energy: -150.802 bonds (distance) P-C4' energy: -124.619 flat angles C4'-P-C4' energy: -164.563 flat angles P-C4'-P energy: -81.871 tors. eta vs tors. theta energy: -139.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -2017.213236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.213236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.213236 (E_RNA) where: Base-Base interactions energy: -1366.418 where: short stacking energy: -629.665 Base-Backbone interact. energy: -2.176 local terms energy: -648.618749 where: bonds (distance) C4'-P energy: -134.336 bonds (distance) P-C4' energy: -142.046 flat angles C4'-P-C4' energy: -167.685 flat angles P-C4'-P energy: -60.590 tors. eta vs tors. theta energy: -143.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1744.388238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.388238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.388238 (E_RNA) where: Base-Base interactions energy: -1148.338 where: short stacking energy: -517.451 Base-Backbone interact. energy: -3.447 local terms energy: -592.603044 where: bonds (distance) C4'-P energy: -130.912 bonds (distance) P-C4' energy: -162.797 flat angles C4'-P-C4' energy: -126.874 flat angles P-C4'-P energy: -88.083 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: 9, replica: 5 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1503.884499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.884499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.884499 (E_RNA) where: Base-Base interactions energy: -986.424 where: short stacking energy: -418.546 Base-Backbone interact. energy: -3.347 local terms energy: -514.113138 where: bonds (distance) C4'-P energy: -135.107 bonds (distance) P-C4' energy: -136.406 flat angles C4'-P-C4' energy: -127.391 flat angles P-C4'-P energy: -58.344 tors. eta vs tors. theta energy: -56.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1161.274487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.274487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.274487 (E_RNA) where: Base-Base interactions energy: -702.319 where: short stacking energy: -327.338 Base-Backbone interact. energy: -1.365 local terms energy: -457.591226 where: bonds (distance) C4'-P energy: -112.843 bonds (distance) P-C4' energy: -134.531 flat angles C4'-P-C4' energy: -103.395 flat angles P-C4'-P energy: -78.523 tors. eta vs tors. theta energy: -28.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2802.278574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.278574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.278574 (E_RNA) where: Base-Base interactions energy: -1970.075 where: short stacking energy: -828.474 Base-Backbone interact. energy: -5.892 local terms energy: -826.311775 where: bonds (distance) C4'-P energy: -159.421 bonds (distance) P-C4' energy: -163.619 flat angles C4'-P-C4' energy: -166.022 flat angles P-C4'-P energy: -120.326 tors. eta vs tors. theta energy: -216.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2575.245056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.245056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.245056 (E_RNA) where: Base-Base interactions energy: -1764.157 where: short stacking energy: -778.909 Base-Backbone interact. energy: -0.123 local terms energy: -810.965097 where: bonds (distance) C4'-P energy: -157.505 bonds (distance) P-C4' energy: -163.408 flat angles C4'-P-C4' energy: -168.272 flat angles P-C4'-P energy: -121.963 tors. eta vs tors. theta energy: -199.817 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: 3, replica: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2446.785458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.785458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.785458 (E_RNA) where: Base-Base interactions energy: -1684.515 where: short stacking energy: -730.292 Base-Backbone interact. energy: -1.635 local terms energy: -760.635367 where: bonds (distance) C4'-P energy: -155.832 bonds (distance) P-C4' energy: -149.474 flat angles C4'-P-C4' energy: -168.004 flat angles P-C4'-P energy: -102.827 tors. eta vs tors. theta energy: -184.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2453.093893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.093893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.093893 (E_RNA) where: Base-Base interactions energy: -1676.666 where: short stacking energy: -756.127 Base-Backbone interact. energy: -1.752 local terms energy: -774.675455 where: bonds (distance) C4'-P energy: -147.634 bonds (distance) P-C4' energy: -150.307 flat angles C4'-P-C4' energy: -170.941 flat angles P-C4'-P energy: -113.136 tors. eta vs tors. theta energy: -192.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2234.922295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.922295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.922295 (E_RNA) where: Base-Base interactions energy: -1555.146 where: short stacking energy: -702.564 Base-Backbone interact. energy: -3.178 local terms energy: -676.598049 where: bonds (distance) C4'-P energy: -133.547 bonds (distance) P-C4' energy: -138.179 flat angles C4'-P-C4' energy: -169.730 flat angles P-C4'-P energy: -73.957 tors. eta vs tors. theta energy: -161.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2080.629132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.629132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.629132 (E_RNA) where: Base-Base interactions energy: -1434.187 where: short stacking energy: -643.109 Base-Backbone interact. energy: -1.985 local terms energy: -644.456527 where: bonds (distance) C4'-P energy: -118.054 bonds (distance) P-C4' energy: -141.737 flat angles C4'-P-C4' energy: -146.599 flat angles P-C4'-P energy: -104.540 tors. eta vs tors. theta energy: -133.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1966.190450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.190450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.190450 (E_RNA) where: Base-Base interactions energy: -1342.849 where: short stacking energy: -599.399 Base-Backbone interact. energy: -2.011 local terms energy: -621.329823 where: bonds (distance) C4'-P energy: -115.319 bonds (distance) P-C4' energy: -147.043 flat angles C4'-P-C4' energy: -153.978 flat angles P-C4'-P energy: -80.703 tors. eta vs tors. theta energy: -124.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1727.970813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.970813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.970813 (E_RNA) where: Base-Base interactions energy: -1164.324 where: short stacking energy: -516.980 Base-Backbone interact. energy: -2.309 local terms energy: -561.338315 where: bonds (distance) C4'-P energy: -127.638 bonds (distance) P-C4' energy: -123.600 flat angles C4'-P-C4' energy: -141.411 flat angles P-C4'-P energy: -94.605 tors. eta vs tors. theta energy: -74.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1571.784610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.784610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.784610 (E_RNA) where: Base-Base interactions energy: -1027.381 where: short stacking energy: -461.676 Base-Backbone interact. energy: -2.943 local terms energy: -541.460420 where: bonds (distance) C4'-P energy: -110.831 bonds (distance) P-C4' energy: -138.135 flat angles C4'-P-C4' energy: -120.028 flat angles P-C4'-P energy: -94.420 tors. eta vs tors. theta energy: -78.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1110.918738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.918738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.918738 (E_RNA) where: Base-Base interactions energy: -659.858 where: short stacking energy: -344.177 Base-Backbone interact. energy: 1.809 local terms energy: -452.869598 where: bonds (distance) C4'-P energy: -103.624 bonds (distance) P-C4' energy: -148.612 flat angles C4'-P-C4' energy: -101.676 flat angles P-C4'-P energy: -64.240 tors. eta vs tors. theta energy: -34.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2769.988091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.988091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.988091 (E_RNA) where: Base-Base interactions energy: -1936.487 where: short stacking energy: -846.955 Base-Backbone interact. energy: -6.331 local terms energy: -827.170192 where: bonds (distance) C4'-P energy: -151.631 bonds (distance) P-C4' energy: -169.105 flat angles C4'-P-C4' energy: -181.113 flat angles P-C4'-P energy: -116.225 tors. eta vs tors. theta energy: -209.096 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: 73 Temperature: 0.950000 Total energy: -2582.568423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.568423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.568423 (E_RNA) where: Base-Base interactions energy: -1813.646 where: short stacking energy: -788.214 Base-Backbone interact. energy: 0.720 local terms energy: -769.642253 where: bonds (distance) C4'-P energy: -139.959 bonds (distance) P-C4' energy: -145.285 flat angles C4'-P-C4' energy: -173.155 flat angles P-C4'-P energy: -121.258 tors. eta vs tors. theta energy: -189.985 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: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2407.815442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.815442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.815442 (E_RNA) where: Base-Base interactions energy: -1638.312 where: short stacking energy: -733.375 Base-Backbone interact. energy: -3.425 local terms energy: -766.077758 where: bonds (distance) C4'-P energy: -151.135 bonds (distance) P-C4' energy: -162.743 flat angles C4'-P-C4' energy: -161.952 flat angles P-C4'-P energy: -98.532 tors. eta vs tors. theta energy: -191.716 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: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2429.798713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.798713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.798713 (E_RNA) where: Base-Base interactions energy: -1656.132 where: short stacking energy: -748.582 Base-Backbone interact. energy: -1.941 local terms energy: -771.725415 where: bonds (distance) C4'-P energy: -151.064 bonds (distance) P-C4' energy: -146.850 flat angles C4'-P-C4' energy: -173.072 flat angles P-C4'-P energy: -110.585 tors. eta vs tors. theta energy: -190.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2257.341073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.341073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.341073 (E_RNA) where: Base-Base interactions energy: -1591.503 where: short stacking energy: -673.127 Base-Backbone interact. energy: -3.577 local terms energy: -662.261169 where: bonds (distance) C4'-P energy: -135.510 bonds (distance) P-C4' energy: -147.744 flat angles C4'-P-C4' energy: -148.530 flat angles P-C4'-P energy: -88.818 tors. eta vs tors. theta energy: -141.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2149.848795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.848795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.848795 (E_RNA) where: Base-Base interactions energy: -1478.677 where: short stacking energy: -675.311 Base-Backbone interact. energy: 1.739 local terms energy: -672.910397 where: bonds (distance) C4'-P energy: -123.971 bonds (distance) P-C4' energy: -143.366 flat angles C4'-P-C4' energy: -148.742 flat angles P-C4'-P energy: -107.081 tors. eta vs tors. theta energy: -149.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -2004.398051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.398051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.398051 (E_RNA) where: Base-Base interactions energy: -1382.538 where: short stacking energy: -614.589 Base-Backbone interact. energy: 3.734 local terms energy: -625.594647 where: bonds (distance) C4'-P energy: -119.390 bonds (distance) P-C4' energy: -130.503 flat angles C4'-P-C4' energy: -121.219 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: -157.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1740.498443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.498443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.498443 (E_RNA) where: Base-Base interactions energy: -1165.662 where: short stacking energy: -544.955 Base-Backbone interact. energy: 1.241 local terms energy: -576.077630 where: bonds (distance) C4'-P energy: -124.772 bonds (distance) P-C4' energy: -126.109 flat angles C4'-P-C4' energy: -150.231 flat angles P-C4'-P energy: -72.421 tors. eta vs tors. theta energy: -102.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1567.055837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.055837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.055837 (E_RNA) where: Base-Base interactions energy: -1025.764 where: short stacking energy: -474.883 Base-Backbone interact. energy: -3.911 local terms energy: -537.380624 where: bonds (distance) C4'-P energy: -115.727 bonds (distance) P-C4' energy: -120.404 flat angles C4'-P-C4' energy: -125.903 flat angles P-C4'-P energy: -95.493 tors. eta vs tors. theta energy: -79.852 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: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1180.147332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.147332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.147332 (E_RNA) where: Base-Base interactions energy: -709.095 where: short stacking energy: -365.912 Base-Backbone interact. energy: -1.487 local terms energy: -469.565327 where: bonds (distance) C4'-P energy: -110.515 bonds (distance) P-C4' energy: -120.906 flat angles C4'-P-C4' energy: -120.858 flat angles P-C4'-P energy: -65.255 tors. eta vs tors. theta energy: -52.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2792.012645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.012645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.012645 (E_RNA) where: Base-Base interactions energy: -1946.630 where: short stacking energy: -820.925 Base-Backbone interact. energy: -7.340 local terms energy: -838.042792 where: bonds (distance) C4'-P energy: -153.413 bonds (distance) P-C4' energy: -155.161 flat angles C4'-P-C4' energy: -189.943 flat angles P-C4'-P energy: -123.926 tors. eta vs tors. theta energy: -215.600 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: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2563.009362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.009362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.009362 (E_RNA) where: Base-Base interactions energy: -1787.887 where: short stacking energy: -797.302 Base-Backbone interact. energy: -2.524 local terms energy: -772.598164 where: bonds (distance) C4'-P energy: -126.785 bonds (distance) P-C4' energy: -162.665 flat angles C4'-P-C4' energy: -170.463 flat angles P-C4'-P energy: -110.357 tors. eta vs tors. theta energy: -202.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2528.826908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.826908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.826908 (E_RNA) where: Base-Base interactions energy: -1748.477 where: short stacking energy: -786.821 Base-Backbone interact. energy: -0.858 local terms energy: -779.491707 where: bonds (distance) C4'-P energy: -134.045 bonds (distance) P-C4' energy: -153.484 flat angles C4'-P-C4' energy: -170.455 flat angles P-C4'-P energy: -114.461 tors. eta vs tors. theta energy: -207.047 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: 74 Temperature: 1.050000 Total energy: -2310.426948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.426948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.426948 (E_RNA) where: Base-Base interactions energy: -1603.028 where: short stacking energy: -744.832 Base-Backbone interact. energy: -3.043 local terms energy: -704.356177 where: bonds (distance) C4'-P energy: -158.570 bonds (distance) P-C4' energy: -123.132 flat angles C4'-P-C4' energy: -153.604 flat angles P-C4'-P energy: -89.742 tors. eta vs tors. theta energy: -179.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2264.996515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.996515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.996515 (E_RNA) where: Base-Base interactions energy: -1579.177 where: short stacking energy: -716.905 Base-Backbone interact. energy: -2.842 local terms energy: -682.976832 where: bonds (distance) C4'-P energy: -121.083 bonds (distance) P-C4' energy: -125.632 flat angles C4'-P-C4' energy: -164.765 flat angles P-C4'-P energy: -106.229 tors. eta vs tors. theta energy: -165.268 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: 74 Temperature: 1.150000 Total energy: -2101.825807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.825807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.825807 (E_RNA) where: Base-Base interactions energy: -1424.775 where: short stacking energy: -651.246 Base-Backbone interact. energy: -1.897 local terms energy: -675.153679 where: bonds (distance) C4'-P energy: -147.543 bonds (distance) P-C4' energy: -132.616 flat angles C4'-P-C4' energy: -158.462 flat angles P-C4'-P energy: -96.666 tors. eta vs tors. theta energy: -139.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -2017.465102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.465102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.465102 (E_RNA) where: Base-Base interactions energy: -1337.823 where: short stacking energy: -585.521 Base-Backbone interact. energy: 0.474 local terms energy: -680.115923 where: bonds (distance) C4'-P energy: -143.309 bonds (distance) P-C4' energy: -133.624 flat angles C4'-P-C4' energy: -146.727 flat angles P-C4'-P energy: -112.612 tors. eta vs tors. theta energy: -143.843 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: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1724.433691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.433691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.433691 (E_RNA) where: Base-Base interactions energy: -1102.883 where: short stacking energy: -520.139 Base-Backbone interact. energy: 0.232 local terms energy: -621.782336 where: bonds (distance) C4'-P energy: -124.098 bonds (distance) P-C4' energy: -145.679 flat angles C4'-P-C4' energy: -132.615 flat angles P-C4'-P energy: -92.825 tors. eta vs tors. theta energy: -126.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1573.158874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.158874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.158874 (E_RNA) where: Base-Base interactions energy: -1044.388 where: short stacking energy: -469.133 Base-Backbone interact. energy: 1.980 local terms energy: -530.750303 where: bonds (distance) C4'-P energy: -141.739 bonds (distance) P-C4' energy: -105.190 flat angles C4'-P-C4' energy: -138.397 flat angles P-C4'-P energy: -62.316 tors. eta vs tors. theta energy: -83.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1180.127581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.127581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.127581 (E_RNA) where: Base-Base interactions energy: -707.239 where: short stacking energy: -344.039 Base-Backbone interact. energy: -1.121 local terms energy: -471.768148 where: bonds (distance) C4'-P energy: -102.327 bonds (distance) P-C4' energy: -115.436 flat angles C4'-P-C4' energy: -138.275 flat angles P-C4'-P energy: -72.693 tors. eta vs tors. theta energy: -43.038 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: 1, replica: 2 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2788.256423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.256423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.256423 (E_RNA) where: Base-Base interactions energy: -1949.328 where: short stacking energy: -854.815 Base-Backbone interact. energy: -6.216 local terms energy: -832.711636 where: bonds (distance) C4'-P energy: -148.398 bonds (distance) P-C4' energy: -171.304 flat angles C4'-P-C4' energy: -175.631 flat angles P-C4'-P energy: -119.891 tors. eta vs tors. theta energy: -217.487 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: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2589.852132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.852132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.852132 (E_RNA) where: Base-Base interactions energy: -1758.644 where: short stacking energy: -789.951 Base-Backbone interact. energy: -0.762 local terms energy: -830.446118 where: bonds (distance) C4'-P energy: -168.557 bonds (distance) P-C4' energy: -163.475 flat angles C4'-P-C4' energy: -180.411 flat angles P-C4'-P energy: -105.990 tors. eta vs tors. theta energy: -212.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2484.216352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.216352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.216352 (E_RNA) where: Base-Base interactions energy: -1674.833 where: short stacking energy: -759.250 Base-Backbone interact. energy: -2.108 local terms energy: -807.275146 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -155.256 flat angles C4'-P-C4' energy: -197.330 flat angles P-C4'-P energy: -122.613 tors. eta vs tors. theta energy: -185.369 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: 6 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2357.975718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.975718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.975718 (E_RNA) where: Base-Base interactions energy: -1615.180 where: short stacking energy: -687.348 Base-Backbone interact. energy: -3.022 local terms energy: -739.774399 where: bonds (distance) C4'-P energy: -148.375 bonds (distance) P-C4' energy: -160.274 flat angles C4'-P-C4' energy: -152.251 flat angles P-C4'-P energy: -101.631 tors. eta vs tors. theta energy: -177.243 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: 5, replica: 10 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2255.146367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.146367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.146367 (E_RNA) where: Base-Base interactions energy: -1542.022 where: short stacking energy: -709.917 Base-Backbone interact. energy: -0.809 local terms energy: -712.315700 where: bonds (distance) C4'-P energy: -136.632 bonds (distance) P-C4' energy: -144.131 flat angles C4'-P-C4' energy: -149.151 flat angles P-C4'-P energy: -106.896 tors. eta vs tors. theta energy: -175.506 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: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2108.982350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.982350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.982350 (E_RNA) where: Base-Base interactions energy: -1418.180 where: short stacking energy: -629.096 Base-Backbone interact. energy: 1.547 local terms energy: -692.349258 where: bonds (distance) C4'-P energy: -129.250 bonds (distance) P-C4' energy: -158.554 flat angles C4'-P-C4' energy: -157.038 flat angles P-C4'-P energy: -99.731 tors. eta vs tors. theta energy: -147.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -2019.046112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.046112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.046112 (E_RNA) where: Base-Base interactions energy: -1368.940 where: short stacking energy: -622.503 Base-Backbone interact. energy: -0.915 local terms energy: -649.191259 where: bonds (distance) C4'-P energy: -114.822 bonds (distance) P-C4' energy: -132.637 flat angles C4'-P-C4' energy: -150.010 flat angles P-C4'-P energy: -104.911 tors. eta vs tors. theta energy: -146.810 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: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1690.736126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.736126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.736126 (E_RNA) where: Base-Base interactions energy: -1084.914 where: short stacking energy: -540.367 Base-Backbone interact. energy: -1.450 local terms energy: -604.372146 where: bonds (distance) C4'-P energy: -121.507 bonds (distance) P-C4' energy: -118.491 flat angles C4'-P-C4' energy: -145.607 flat angles P-C4'-P energy: -98.394 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: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1504.053120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.053120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.053120 (E_RNA) where: Base-Base interactions energy: -982.017 where: short stacking energy: -449.627 Base-Backbone interact. energy: 2.250 local terms energy: -524.286014 where: bonds (distance) C4'-P energy: -130.345 bonds (distance) P-C4' energy: -135.753 flat angles C4'-P-C4' energy: -118.828 flat angles P-C4'-P energy: -77.034 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: 10, replica: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1170.512422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.512422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.512422 (E_RNA) where: Base-Base interactions energy: -699.172 where: short stacking energy: -359.747 Base-Backbone interact. energy: 1.345 local terms energy: -472.686199 where: bonds (distance) C4'-P energy: -114.846 bonds (distance) P-C4' energy: -142.726 flat angles C4'-P-C4' energy: -98.182 flat angles P-C4'-P energy: -76.881 tors. eta vs tors. theta energy: -40.051 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: 2 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2794.826120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.826120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.826120 (E_RNA) where: Base-Base interactions energy: -1966.620 where: short stacking energy: -852.970 Base-Backbone interact. energy: -2.306 local terms energy: -825.900065 where: bonds (distance) C4'-P energy: -163.602 bonds (distance) P-C4' energy: -155.068 flat angles C4'-P-C4' energy: -187.172 flat angles P-C4'-P energy: -106.297 tors. eta vs tors. theta energy: -213.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2605.837385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.837385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.837385 (E_RNA) where: Base-Base interactions energy: -1794.316 where: short stacking energy: -832.227 Base-Backbone interact. energy: -2.464 local terms energy: -809.057823 where: bonds (distance) C4'-P energy: -151.833 bonds (distance) P-C4' energy: -144.967 flat angles C4'-P-C4' energy: -183.304 flat angles P-C4'-P energy: -116.178 tors. eta vs tors. theta energy: -212.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2518.366496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.366496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.366496 (E_RNA) where: Base-Base interactions energy: -1724.127 where: short stacking energy: -772.620 Base-Backbone interact. energy: 0.336 local terms energy: -794.575326 where: bonds (distance) C4'-P energy: -158.182 bonds (distance) P-C4' energy: -157.378 flat angles C4'-P-C4' energy: -161.766 flat angles P-C4'-P energy: -117.641 tors. eta vs tors. theta energy: -199.608 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: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2316.260895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.260895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.260895 (E_RNA) where: Base-Base interactions energy: -1573.652 where: short stacking energy: -694.489 Base-Backbone interact. energy: -2.958 local terms energy: -739.650219 where: bonds (distance) C4'-P energy: -146.538 bonds (distance) P-C4' energy: -146.554 flat angles C4'-P-C4' energy: -172.585 flat angles P-C4'-P energy: -99.314 tors. eta vs tors. theta energy: -174.659 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: 10 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2311.037400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.037400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.037400 (E_RNA) where: Base-Base interactions energy: -1577.337 where: short stacking energy: -674.384 Base-Backbone interact. energy: 1.857 local terms energy: -735.557627 where: bonds (distance) C4'-P energy: -166.584 bonds (distance) P-C4' energy: -142.783 flat angles C4'-P-C4' energy: -158.451 flat angles P-C4'-P energy: -110.074 tors. eta vs tors. theta energy: -157.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -2064.429495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.429495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.429495 (E_RNA) where: Base-Base interactions energy: -1425.359 where: short stacking energy: -648.248 Base-Backbone interact. energy: 2.148 local terms energy: -641.219235 where: bonds (distance) C4'-P energy: -113.356 bonds (distance) P-C4' energy: -134.915 flat angles C4'-P-C4' energy: -144.191 flat angles P-C4'-P energy: -91.496 tors. eta vs tors. theta energy: -157.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -2071.506852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.506852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.506852 (E_RNA) where: Base-Base interactions energy: -1418.854 where: short stacking energy: -625.678 Base-Backbone interact. energy: -1.279 local terms energy: -651.373469 where: bonds (distance) C4'-P energy: -113.637 bonds (distance) P-C4' energy: -146.196 flat angles C4'-P-C4' energy: -168.343 flat angles P-C4'-P energy: -78.784 tors. eta vs tors. theta energy: -144.412 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: 8, replica: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1673.388126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.388126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.388126 (E_RNA) where: Base-Base interactions energy: -1092.651 where: short stacking energy: -538.241 Base-Backbone interact. energy: -1.727 local terms energy: -579.010142 where: bonds (distance) C4'-P energy: -108.738 bonds (distance) P-C4' energy: -134.260 flat angles C4'-P-C4' energy: -147.186 flat angles P-C4'-P energy: -74.761 tors. eta vs tors. theta energy: -114.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1588.601828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.601828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.601828 (E_RNA) where: Base-Base interactions energy: -1067.327 where: short stacking energy: -481.566 Base-Backbone interact. energy: 3.740 local terms energy: -525.015183 where: bonds (distance) C4'-P energy: -108.052 bonds (distance) P-C4' energy: -122.591 flat angles C4'-P-C4' energy: -130.173 flat angles P-C4'-P energy: -90.087 tors. eta vs tors. theta energy: -74.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1215.481478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.481478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.481478 (E_RNA) where: Base-Base interactions energy: -720.736 where: short stacking energy: -340.490 Base-Backbone interact. energy: 3.213 local terms energy: -497.958266 where: bonds (distance) C4'-P energy: -119.945 bonds (distance) P-C4' energy: -144.617 flat angles C4'-P-C4' energy: -133.254 flat angles P-C4'-P energy: -57.597 tors. eta vs tors. theta energy: -42.546 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: 77 Temperature: 0.900000 Total energy: -2762.152994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.152994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.152994 (E_RNA) where: Base-Base interactions energy: -1929.781 where: short stacking energy: -806.735 Base-Backbone interact. energy: -1.484 local terms energy: -830.887633 where: bonds (distance) C4'-P energy: -156.517 bonds (distance) P-C4' energy: -168.442 flat angles C4'-P-C4' energy: -176.193 flat angles P-C4'-P energy: -123.496 tors. eta vs tors. theta energy: -206.241 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: 2, replica: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2597.645818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.645818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.645818 (E_RNA) where: Base-Base interactions energy: -1787.184 where: short stacking energy: -804.306 Base-Backbone interact. energy: -2.365 local terms energy: -808.096541 where: bonds (distance) C4'-P energy: -149.227 bonds (distance) P-C4' energy: -147.677 flat angles C4'-P-C4' energy: -177.122 flat angles P-C4'-P energy: -123.168 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: 3, replica: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2518.743630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.743630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.743630 (E_RNA) where: Base-Base interactions energy: -1725.198 where: short stacking energy: -768.737 Base-Backbone interact. energy: 2.305 local terms energy: -795.850382 where: bonds (distance) C4'-P energy: -143.415 bonds (distance) P-C4' energy: -158.908 flat angles C4'-P-C4' energy: -186.218 flat angles P-C4'-P energy: -113.260 tors. eta vs tors. theta energy: -194.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2365.807875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.807875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.807875 (E_RNA) where: Base-Base interactions energy: -1643.358 where: short stacking energy: -718.766 Base-Backbone interact. energy: -3.975 local terms energy: -718.474970 where: bonds (distance) C4'-P energy: -128.206 bonds (distance) P-C4' energy: -144.203 flat angles C4'-P-C4' energy: -167.174 flat angles P-C4'-P energy: -108.900 tors. eta vs tors. theta energy: -169.991 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: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2264.618102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.618102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.618102 (E_RNA) where: Base-Base interactions energy: -1566.794 where: short stacking energy: -669.965 Base-Backbone interact. energy: -1.071 local terms energy: -696.753738 where: bonds (distance) C4'-P energy: -143.326 bonds (distance) P-C4' energy: -140.904 flat angles C4'-P-C4' energy: -163.308 flat angles P-C4'-P energy: -81.871 tors. eta vs tors. theta energy: -167.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -2092.936800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.936800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.936800 (E_RNA) where: Base-Base interactions energy: -1424.934 where: short stacking energy: -663.655 Base-Backbone interact. energy: -1.548 local terms energy: -666.454722 where: bonds (distance) C4'-P energy: -137.293 bonds (distance) P-C4' energy: -143.222 flat angles C4'-P-C4' energy: -140.604 flat angles P-C4'-P energy: -91.584 tors. eta vs tors. theta energy: -153.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -2015.217179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.217179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.217179 (E_RNA) where: Base-Base interactions energy: -1365.849 where: short stacking energy: -620.390 Base-Backbone interact. energy: -2.226 local terms energy: -647.143017 where: bonds (distance) C4'-P energy: -142.688 bonds (distance) P-C4' energy: -126.578 flat angles C4'-P-C4' energy: -127.378 flat angles P-C4'-P energy: -96.529 tors. eta vs tors. theta energy: -153.971 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: 8, replica: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1687.671522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.671522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.671522 (E_RNA) where: Base-Base interactions energy: -1100.366 where: short stacking energy: -505.736 Base-Backbone interact. energy: 3.146 local terms energy: -590.452272 where: bonds (distance) C4'-P energy: -131.501 bonds (distance) P-C4' energy: -145.360 flat angles C4'-P-C4' energy: -139.391 flat angles P-C4'-P energy: -69.096 tors. eta vs tors. theta energy: -105.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1577.082707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.082707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.082707 (E_RNA) where: Base-Base interactions energy: -1019.621 where: short stacking energy: -443.430 Base-Backbone interact. energy: -0.896 local terms energy: -556.566207 where: bonds (distance) C4'-P energy: -110.577 bonds (distance) P-C4' energy: -141.941 flat angles C4'-P-C4' energy: -119.506 flat angles P-C4'-P energy: -97.229 tors. eta vs tors. theta energy: -87.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1207.791503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.791503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.791503 (E_RNA) where: Base-Base interactions energy: -716.259 where: short stacking energy: -370.771 Base-Backbone interact. energy: -0.074 local terms energy: -491.458612 where: bonds (distance) C4'-P energy: -120.096 bonds (distance) P-C4' energy: -134.467 flat angles C4'-P-C4' energy: -135.499 flat angles P-C4'-P energy: -63.413 tors. eta vs tors. theta energy: -37.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2786.308888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.308888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.308888 (E_RNA) where: Base-Base interactions energy: -1967.223 where: short stacking energy: -853.802 Base-Backbone interact. energy: -6.754 local terms energy: -812.332083 where: bonds (distance) C4'-P energy: -141.136 bonds (distance) P-C4' energy: -148.500 flat angles C4'-P-C4' energy: -185.378 flat angles P-C4'-P energy: -120.496 tors. eta vs tors. theta energy: -216.823 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: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2607.980346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.980346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.980346 (E_RNA) where: Base-Base interactions energy: -1778.590 where: short stacking energy: -829.884 Base-Backbone interact. energy: -2.290 local terms energy: -827.100573 where: bonds (distance) C4'-P energy: -159.203 bonds (distance) P-C4' energy: -160.268 flat angles C4'-P-C4' energy: -178.416 flat angles P-C4'-P energy: -113.525 tors. eta vs tors. theta energy: -215.688 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: 3, replica: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2526.421149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.421149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.421149 (E_RNA) where: Base-Base interactions energy: -1746.517 where: short stacking energy: -811.351 Base-Backbone interact. energy: -4.141 local terms energy: -775.763819 where: bonds (distance) C4'-P energy: -139.959 bonds (distance) P-C4' energy: -145.941 flat angles C4'-P-C4' energy: -158.280 flat angles P-C4'-P energy: -134.151 tors. eta vs tors. theta energy: -197.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2344.497170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.497170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.497170 (E_RNA) where: Base-Base interactions energy: -1601.711 where: short stacking energy: -702.465 Base-Backbone interact. energy: -7.122 local terms energy: -735.663400 where: bonds (distance) C4'-P energy: -122.239 bonds (distance) P-C4' energy: -159.151 flat angles C4'-P-C4' energy: -176.420 flat angles P-C4'-P energy: -108.230 tors. eta vs tors. theta energy: -169.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2270.196266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.196266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.196266 (E_RNA) where: Base-Base interactions energy: -1576.461 where: short stacking energy: -674.940 Base-Backbone interact. energy: -6.454 local terms energy: -687.281047 where: bonds (distance) C4'-P energy: -126.061 bonds (distance) P-C4' energy: -157.506 flat angles C4'-P-C4' energy: -167.748 flat angles P-C4'-P energy: -70.443 tors. eta vs tors. theta energy: -165.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2105.483003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.483003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.483003 (E_RNA) where: Base-Base interactions energy: -1423.330 where: short stacking energy: -631.375 Base-Backbone interact. energy: -1.041 local terms energy: -681.111690 where: bonds (distance) C4'-P energy: -138.774 bonds (distance) P-C4' energy: -137.155 flat angles C4'-P-C4' energy: -152.540 flat angles P-C4'-P energy: -94.061 tors. eta vs tors. theta energy: -158.582 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: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -2032.936817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.936817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.936817 (E_RNA) where: Base-Base interactions energy: -1388.731 where: short stacking energy: -635.077 Base-Backbone interact. energy: -1.846 local terms energy: -642.360151 where: bonds (distance) C4'-P energy: -128.316 bonds (distance) P-C4' energy: -136.758 flat angles C4'-P-C4' energy: -146.335 flat angles P-C4'-P energy: -79.995 tors. eta vs tors. theta energy: -150.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1632.960078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.960078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.960078 (E_RNA) where: Base-Base interactions energy: -1065.651 where: short stacking energy: -504.855 Base-Backbone interact. energy: 5.987 local terms energy: -573.296199 where: bonds (distance) C4'-P energy: -128.922 bonds (distance) P-C4' energy: -115.709 flat angles C4'-P-C4' energy: -155.447 flat angles P-C4'-P energy: -80.053 tors. eta vs tors. theta energy: -93.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1624.157061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.157061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.157061 (E_RNA) where: Base-Base interactions energy: -1100.278 where: short stacking energy: -512.751 Base-Backbone interact. energy: 1.455 local terms energy: -525.334894 where: bonds (distance) C4'-P energy: -115.537 bonds (distance) P-C4' energy: -110.169 flat angles C4'-P-C4' energy: -130.795 flat angles P-C4'-P energy: -76.408 tors. eta vs tors. theta energy: -92.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1204.683544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.683544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.683544 (E_RNA) where: Base-Base interactions energy: -700.278 where: short stacking energy: -340.536 Base-Backbone interact. energy: -0.748 local terms energy: -503.658309 where: bonds (distance) C4'-P energy: -124.716 bonds (distance) P-C4' energy: -147.279 flat angles C4'-P-C4' energy: -124.564 flat angles P-C4'-P energy: -59.551 tors. eta vs tors. theta energy: -47.549 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: 1, replica: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2820.370968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.370968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.370968 (E_RNA) where: Base-Base interactions energy: -1989.252 where: short stacking energy: -853.447 Base-Backbone interact. energy: -6.023 local terms energy: -825.095404 where: bonds (distance) C4'-P energy: -155.195 bonds (distance) P-C4' energy: -150.560 flat angles C4'-P-C4' energy: -171.691 flat angles P-C4'-P energy: -120.583 tors. eta vs tors. theta energy: -227.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2651.254497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.254497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.254497 (E_RNA) where: Base-Base interactions energy: -1811.319 where: short stacking energy: -825.907 Base-Backbone interact. energy: -1.925 local terms energy: -838.010585 where: bonds (distance) C4'-P energy: -148.401 bonds (distance) P-C4' energy: -161.526 flat angles C4'-P-C4' energy: -185.001 flat angles P-C4'-P energy: -125.192 tors. eta vs tors. theta energy: -217.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2502.190710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.190710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.190710 (E_RNA) where: Base-Base interactions energy: -1726.500 where: short stacking energy: -806.524 Base-Backbone interact. energy: 2.550 local terms energy: -778.241116 where: bonds (distance) C4'-P energy: -128.774 bonds (distance) P-C4' energy: -145.664 flat angles C4'-P-C4' energy: -181.442 flat angles P-C4'-P energy: -113.627 tors. eta vs tors. theta energy: -208.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2360.346471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.346471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.346471 (E_RNA) where: Base-Base interactions energy: -1630.521 where: short stacking energy: -716.883 Base-Backbone interact. energy: -1.495 local terms energy: -728.330809 where: bonds (distance) C4'-P energy: -131.478 bonds (distance) P-C4' energy: -135.751 flat angles C4'-P-C4' energy: -169.556 flat angles P-C4'-P energy: -117.265 tors. eta vs tors. theta energy: -174.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2265.696938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.696938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.696938 (E_RNA) where: Base-Base interactions energy: -1585.185 where: short stacking energy: -679.704 Base-Backbone interact. energy: 2.933 local terms energy: -683.445416 where: bonds (distance) C4'-P energy: -143.949 bonds (distance) P-C4' energy: -138.390 flat angles C4'-P-C4' energy: -143.868 flat angles P-C4'-P energy: -95.250 tors. eta vs tors. theta energy: -161.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2127.527527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.527527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.527527 (E_RNA) where: Base-Base interactions energy: -1454.151 where: short stacking energy: -669.279 Base-Backbone interact. energy: -0.127 local terms energy: -673.249752 where: bonds (distance) C4'-P energy: -120.452 bonds (distance) P-C4' energy: -145.267 flat angles C4'-P-C4' energy: -162.770 flat angles P-C4'-P energy: -96.347 tors. eta vs tors. theta energy: -148.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1999.578713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.578713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.578713 (E_RNA) where: Base-Base interactions energy: -1391.861 where: short stacking energy: -615.318 Base-Backbone interact. energy: 5.107 local terms energy: -612.825201 where: bonds (distance) C4'-P energy: -129.864 bonds (distance) P-C4' energy: -127.736 flat angles C4'-P-C4' energy: -133.384 flat angles P-C4'-P energy: -84.516 tors. eta vs tors. theta energy: -137.325 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: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1709.378862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.378862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.378862 (E_RNA) where: Base-Base interactions energy: -1087.544 where: short stacking energy: -505.658 Base-Backbone interact. energy: -6.134 local terms energy: -615.700615 where: bonds (distance) C4'-P energy: -154.181 bonds (distance) P-C4' energy: -128.842 flat angles C4'-P-C4' energy: -140.057 flat angles P-C4'-P energy: -93.817 tors. eta vs tors. theta energy: -98.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1599.225620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.225620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.225620 (E_RNA) where: Base-Base interactions energy: -1063.355 where: short stacking energy: -497.202 Base-Backbone interact. energy: -0.112 local terms energy: -535.758652 where: bonds (distance) C4'-P energy: -121.863 bonds (distance) P-C4' energy: -129.157 flat angles C4'-P-C4' energy: -130.648 flat angles P-C4'-P energy: -69.161 tors. eta vs tors. theta energy: -84.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1174.973248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.973248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.973248 (E_RNA) where: Base-Base interactions energy: -678.451 where: short stacking energy: -356.063 Base-Backbone interact. energy: -4.994 local terms energy: -491.527536 where: bonds (distance) C4'-P energy: -116.787 bonds (distance) P-C4' energy: -146.981 flat angles C4'-P-C4' energy: -120.802 flat angles P-C4'-P energy: -62.414 tors. eta vs tors. theta energy: -44.543 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: 80 Temperature: 0.900000 Total energy: -2832.352646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.352646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.352646 (E_RNA) where: Base-Base interactions energy: -1960.830 where: short stacking energy: -842.911 Base-Backbone interact. energy: -5.700 local terms energy: -865.822346 where: bonds (distance) C4'-P energy: -178.471 bonds (distance) P-C4' energy: -163.741 flat angles C4'-P-C4' energy: -185.882 flat angles P-C4'-P energy: -121.141 tors. eta vs tors. theta energy: -216.587 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: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2662.784400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.784400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.784400 (E_RNA) where: Base-Base interactions energy: -1834.298 where: short stacking energy: -846.518 Base-Backbone interact. energy: -2.464 local terms energy: -826.022485 where: bonds (distance) C4'-P energy: -138.438 bonds (distance) P-C4' energy: -150.830 flat angles C4'-P-C4' energy: -188.594 flat angles P-C4'-P energy: -123.717 tors. eta vs tors. theta energy: -224.445 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: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2488.407818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.407818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.407818 (E_RNA) where: Base-Base interactions energy: -1710.275 where: short stacking energy: -786.406 Base-Backbone interact. energy: -1.316 local terms energy: -776.817419 where: bonds (distance) C4'-P energy: -161.726 bonds (distance) P-C4' energy: -139.053 flat angles C4'-P-C4' energy: -179.661 flat angles P-C4'-P energy: -101.890 tors. eta vs tors. theta energy: -194.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2387.418377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.418377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.418377 (E_RNA) where: Base-Base interactions energy: -1680.747 where: short stacking energy: -701.461 Base-Backbone interact. energy: -5.625 local terms energy: -701.045996 where: bonds (distance) C4'-P energy: -132.421 bonds (distance) P-C4' energy: -133.212 flat angles C4'-P-C4' energy: -167.666 flat angles P-C4'-P energy: -104.088 tors. eta vs tors. theta energy: -163.659 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: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2232.343069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.343069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.343069 (E_RNA) where: Base-Base interactions energy: -1543.111 where: short stacking energy: -707.335 Base-Backbone interact. energy: -0.312 local terms energy: -688.920140 where: bonds (distance) C4'-P energy: -153.923 bonds (distance) P-C4' energy: -152.854 flat angles C4'-P-C4' energy: -134.177 flat angles P-C4'-P energy: -89.605 tors. eta vs tors. theta energy: -158.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -2154.601019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.601019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.601019 (E_RNA) where: Base-Base interactions energy: -1443.788 where: short stacking energy: -638.224 Base-Backbone interact. energy: 2.454 local terms energy: -713.267847 where: bonds (distance) C4'-P energy: -148.892 bonds (distance) P-C4' energy: -160.891 flat angles C4'-P-C4' energy: -139.642 flat angles P-C4'-P energy: -103.703 tors. eta vs tors. theta energy: -160.140 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: 80 Temperature: 1.200000 Total energy: -1948.092950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.092950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.092950 (E_RNA) where: Base-Base interactions energy: -1331.313 where: short stacking energy: -562.284 Base-Backbone interact. energy: 2.921 local terms energy: -619.700248 where: bonds (distance) C4'-P energy: -116.284 bonds (distance) P-C4' energy: -126.383 flat angles C4'-P-C4' energy: -163.347 flat angles P-C4'-P energy: -94.582 tors. eta vs tors. theta energy: -119.104 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: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1696.583279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.583279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.583279 (E_RNA) where: Base-Base interactions energy: -1119.999 where: short stacking energy: -516.771 Base-Backbone interact. energy: -4.679 local terms energy: -571.905669 where: bonds (distance) C4'-P energy: -128.499 bonds (distance) P-C4' energy: -115.486 flat angles C4'-P-C4' energy: -126.238 flat angles P-C4'-P energy: -95.825 tors. eta vs tors. theta energy: -105.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1585.046803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.046803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.046803 (E_RNA) where: Base-Base interactions energy: -1052.388 where: short stacking energy: -491.533 Base-Backbone interact. energy: 4.578 local terms energy: -537.237072 where: bonds (distance) C4'-P energy: -122.589 bonds (distance) P-C4' energy: -113.314 flat angles C4'-P-C4' energy: -134.338 flat angles P-C4'-P energy: -75.418 tors. eta vs tors. theta energy: -91.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1196.620338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.620338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.620338 (E_RNA) where: Base-Base interactions energy: -723.765 where: short stacking energy: -362.408 Base-Backbone interact. energy: 3.583 local terms energy: -476.438473 where: bonds (distance) C4'-P energy: -129.167 bonds (distance) P-C4' energy: -131.377 flat angles C4'-P-C4' energy: -106.552 flat angles P-C4'-P energy: -79.682 tors. eta vs tors. theta energy: -29.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2816.075824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.075824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.075824 (E_RNA) where: Base-Base interactions energy: -1963.608 where: short stacking energy: -836.567 Base-Backbone interact. energy: -6.654 local terms energy: -845.813768 where: bonds (distance) C4'-P energy: -172.288 bonds (distance) P-C4' energy: -162.079 flat angles C4'-P-C4' energy: -172.061 flat angles P-C4'-P energy: -131.361 tors. eta vs tors. theta energy: -208.025 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: 2, replica: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2671.441596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.441596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.441596 (E_RNA) where: Base-Base interactions energy: -1862.852 where: short stacking energy: -837.301 Base-Backbone interact. energy: -3.708 local terms energy: -804.881327 where: bonds (distance) C4'-P energy: -145.363 bonds (distance) P-C4' energy: -156.252 flat angles C4'-P-C4' energy: -168.330 flat angles P-C4'-P energy: -112.517 tors. eta vs tors. theta energy: -222.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2479.899094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.899094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.899094 (E_RNA) where: Base-Base interactions energy: -1679.556 where: short stacking energy: -762.972 Base-Backbone interact. energy: -1.481 local terms energy: -798.861787 where: bonds (distance) C4'-P energy: -154.868 bonds (distance) P-C4' energy: -163.332 flat angles C4'-P-C4' energy: -167.666 flat angles P-C4'-P energy: -112.763 tors. eta vs tors. theta energy: -200.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2432.552940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.552940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.552940 (E_RNA) where: Base-Base interactions energy: -1716.212 where: short stacking energy: -733.379 Base-Backbone interact. energy: 3.230 local terms energy: -719.570934 where: bonds (distance) C4'-P energy: -130.709 bonds (distance) P-C4' energy: -135.640 flat angles C4'-P-C4' energy: -171.990 flat angles P-C4'-P energy: -95.087 tors. eta vs tors. theta energy: -186.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2247.587172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.587172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.587172 (E_RNA) where: Base-Base interactions energy: -1500.303 where: short stacking energy: -677.946 Base-Backbone interact. energy: -3.063 local terms energy: -744.220886 where: bonds (distance) C4'-P energy: -144.242 bonds (distance) P-C4' energy: -144.073 flat angles C4'-P-C4' energy: -163.843 flat angles P-C4'-P energy: -121.885 tors. eta vs tors. theta energy: -170.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2117.110833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.110833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.110833 (E_RNA) where: Base-Base interactions energy: -1476.357 where: short stacking energy: -661.971 Base-Backbone interact. energy: -1.496 local terms energy: -639.257119 where: bonds (distance) C4'-P energy: -129.698 bonds (distance) P-C4' energy: -138.547 flat angles C4'-P-C4' energy: -143.400 flat angles P-C4'-P energy: -79.117 tors. eta vs tors. theta energy: -148.496 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: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1918.266455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.266455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.266455 (E_RNA) where: Base-Base interactions energy: -1313.712 where: short stacking energy: -572.897 Base-Backbone interact. energy: -0.776 local terms energy: -603.777865 where: bonds (distance) C4'-P energy: -133.672 bonds (distance) P-C4' energy: -127.404 flat angles C4'-P-C4' energy: -139.709 flat angles P-C4'-P energy: -75.348 tors. eta vs tors. theta energy: -127.645 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: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1754.274904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.274904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.274904 (E_RNA) where: Base-Base interactions energy: -1172.198 where: short stacking energy: -553.065 Base-Backbone interact. energy: -4.995 local terms energy: -577.081874 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -115.151 flat angles C4'-P-C4' energy: -139.058 flat angles P-C4'-P energy: -95.877 tors. eta vs tors. theta energy: -106.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1526.403663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.403663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.403663 (E_RNA) where: Base-Base interactions energy: -1009.730 where: short stacking energy: -449.088 Base-Backbone interact. energy: 1.592 local terms energy: -518.265810 where: bonds (distance) C4'-P energy: -107.540 bonds (distance) P-C4' energy: -125.966 flat angles C4'-P-C4' energy: -118.592 flat angles P-C4'-P energy: -80.653 tors. eta vs tors. theta energy: -85.515 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: 1 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1190.015241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.015241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.015241 (E_RNA) where: Base-Base interactions energy: -712.014 where: short stacking energy: -374.942 Base-Backbone interact. energy: 0.458 local terms energy: -478.458892 where: bonds (distance) C4'-P energy: -112.211 bonds (distance) P-C4' energy: -126.710 flat angles C4'-P-C4' energy: -143.242 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: -33.453 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: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2803.683510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.683510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.683510 (E_RNA) where: Base-Base interactions energy: -1969.467 where: short stacking energy: -842.331 Base-Backbone interact. energy: -5.219 local terms energy: -828.997072 where: bonds (distance) C4'-P energy: -153.995 bonds (distance) P-C4' energy: -158.951 flat angles C4'-P-C4' energy: -182.249 flat angles P-C4'-P energy: -116.809 tors. eta vs tors. theta energy: -216.992 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: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2660.231884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.231884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.231884 (E_RNA) where: Base-Base interactions energy: -1837.261 where: short stacking energy: -826.967 Base-Backbone interact. energy: -4.658 local terms energy: -818.313024 where: bonds (distance) C4'-P energy: -158.350 bonds (distance) P-C4' energy: -150.720 flat angles C4'-P-C4' energy: -169.698 flat angles P-C4'-P energy: -124.975 tors. eta vs tors. theta energy: -214.570 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: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2508.519058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.519058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.519058 (E_RNA) where: Base-Base interactions energy: -1707.367 where: short stacking energy: -791.422 Base-Backbone interact. energy: -0.532 local terms energy: -800.619814 where: bonds (distance) C4'-P energy: -143.963 bonds (distance) P-C4' energy: -168.544 flat angles C4'-P-C4' energy: -172.227 flat angles P-C4'-P energy: -119.551 tors. eta vs tors. theta energy: -196.336 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: 82 Temperature: 1.050000 Total energy: -2432.089225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.089225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.089225 (E_RNA) where: Base-Base interactions energy: -1702.159 where: short stacking energy: -765.979 Base-Backbone interact. energy: 4.230 local terms energy: -734.160684 where: bonds (distance) C4'-P energy: -133.726 bonds (distance) P-C4' energy: -140.523 flat angles C4'-P-C4' energy: -161.764 flat angles P-C4'-P energy: -107.769 tors. eta vs tors. theta energy: -190.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2188.451608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.451608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.451608 (E_RNA) where: Base-Base interactions energy: -1518.719 where: short stacking energy: -672.998 Base-Backbone interact. energy: -2.286 local terms energy: -667.446268 where: bonds (distance) C4'-P energy: -141.074 bonds (distance) P-C4' energy: -141.565 flat angles C4'-P-C4' energy: -142.382 flat angles P-C4'-P energy: -88.792 tors. eta vs tors. theta energy: -153.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2220.792351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.792351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.792351 (E_RNA) where: Base-Base interactions energy: -1524.401 where: short stacking energy: -692.276 Base-Backbone interact. energy: -2.523 local terms energy: -693.868119 where: bonds (distance) C4'-P energy: -135.740 bonds (distance) P-C4' energy: -127.437 flat angles C4'-P-C4' energy: -148.294 flat angles P-C4'-P energy: -95.529 tors. eta vs tors. theta energy: -186.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1967.935961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.935961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.935961 (E_RNA) where: Base-Base interactions energy: -1335.913 where: short stacking energy: -588.993 Base-Backbone interact. energy: -3.484 local terms energy: -628.538988 where: bonds (distance) C4'-P energy: -130.197 bonds (distance) P-C4' energy: -122.719 flat angles C4'-P-C4' energy: -156.264 flat angles P-C4'-P energy: -87.312 tors. eta vs tors. theta energy: -132.047 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: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1688.847244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.847244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.847244 (E_RNA) where: Base-Base interactions energy: -1068.047 where: short stacking energy: -497.021 Base-Backbone interact. energy: -1.518 local terms energy: -619.281850 where: bonds (distance) C4'-P energy: -152.645 bonds (distance) P-C4' energy: -147.177 flat angles C4'-P-C4' energy: -141.292 flat angles P-C4'-P energy: -88.565 tors. eta vs tors. theta energy: -89.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1658.444348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.444348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.444348 (E_RNA) where: Base-Base interactions energy: -1110.863 where: short stacking energy: -495.654 Base-Backbone interact. energy: -2.388 local terms energy: -545.192642 where: bonds (distance) C4'-P energy: -125.010 bonds (distance) P-C4' energy: -127.526 flat angles C4'-P-C4' energy: -125.066 flat angles P-C4'-P energy: -76.429 tors. eta vs tors. theta energy: -91.161 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: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1227.598575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.598575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.598575 (E_RNA) where: Base-Base interactions energy: -741.836 where: short stacking energy: -341.478 Base-Backbone interact. energy: 4.170 local terms energy: -489.932293 where: bonds (distance) C4'-P energy: -134.485 bonds (distance) P-C4' energy: -129.703 flat angles C4'-P-C4' energy: -124.116 flat angles P-C4'-P energy: -56.397 tors. eta vs tors. theta energy: -45.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2815.691889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.691889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.691889 (E_RNA) where: Base-Base interactions energy: -1991.490 where: short stacking energy: -842.874 Base-Backbone interact. energy: -4.014 local terms energy: -820.188514 where: bonds (distance) C4'-P energy: -164.378 bonds (distance) P-C4' energy: -157.433 flat angles C4'-P-C4' energy: -167.668 flat angles P-C4'-P energy: -114.344 tors. eta vs tors. theta energy: -216.366 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: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2683.595474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.595474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.595474 (E_RNA) where: Base-Base interactions energy: -1846.581 where: short stacking energy: -814.108 Base-Backbone interact. energy: -5.870 local terms energy: -831.144569 where: bonds (distance) C4'-P energy: -157.393 bonds (distance) P-C4' energy: -152.813 flat angles C4'-P-C4' energy: -175.040 flat angles P-C4'-P energy: -123.535 tors. eta vs tors. theta energy: -222.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2444.991419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.991419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.991419 (E_RNA) where: Base-Base interactions energy: -1684.329 where: short stacking energy: -763.400 Base-Backbone interact. energy: 1.178 local terms energy: -761.840631 where: bonds (distance) C4'-P energy: -132.227 bonds (distance) P-C4' energy: -147.942 flat angles C4'-P-C4' energy: -171.303 flat angles P-C4'-P energy: -114.722 tors. eta vs tors. theta energy: -195.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2416.360860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.360860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.360860 (E_RNA) where: Base-Base interactions energy: -1698.843 where: short stacking energy: -718.183 Base-Backbone interact. energy: -0.622 local terms energy: -716.896211 where: bonds (distance) C4'-P energy: -146.861 bonds (distance) P-C4' energy: -141.290 flat angles C4'-P-C4' energy: -159.007 flat angles P-C4'-P energy: -106.356 tors. eta vs tors. theta energy: -163.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2131.293234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.293234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.293234 (E_RNA) where: Base-Base interactions energy: -1454.553 where: short stacking energy: -631.379 Base-Backbone interact. energy: 0.201 local terms energy: -676.940970 where: bonds (distance) C4'-P energy: -129.457 bonds (distance) P-C4' energy: -148.879 flat angles C4'-P-C4' energy: -152.662 flat angles P-C4'-P energy: -100.928 tors. eta vs tors. theta energy: -145.015 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: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2241.059818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.059818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.059818 (E_RNA) where: Base-Base interactions energy: -1510.312 where: short stacking energy: -712.568 Base-Backbone interact. energy: -2.904 local terms energy: -727.843237 where: bonds (distance) C4'-P energy: -141.746 bonds (distance) P-C4' energy: -139.131 flat angles C4'-P-C4' energy: -162.313 flat angles P-C4'-P energy: -95.433 tors. eta vs tors. theta energy: -189.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1990.028833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.028833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.028833 (E_RNA) where: Base-Base interactions energy: -1377.803 where: short stacking energy: -583.334 Base-Backbone interact. energy: -3.232 local terms energy: -608.993255 where: bonds (distance) C4'-P energy: -131.074 bonds (distance) P-C4' energy: -129.250 flat angles C4'-P-C4' energy: -140.410 flat angles P-C4'-P energy: -85.411 tors. eta vs tors. theta energy: -122.848 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: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1631.982392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.982392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.982392 (E_RNA) where: Base-Base interactions energy: -1065.905 where: short stacking energy: -486.705 Base-Backbone interact. energy: -1.587 local terms energy: -564.490191 where: bonds (distance) C4'-P energy: -139.896 bonds (distance) P-C4' energy: -131.249 flat angles C4'-P-C4' energy: -131.341 flat angles P-C4'-P energy: -85.338 tors. eta vs tors. theta energy: -76.666 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: 5 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1623.831498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.831498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.831498 (E_RNA) where: Base-Base interactions energy: -1087.671 where: short stacking energy: -489.750 Base-Backbone interact. energy: 1.321 local terms energy: -537.482070 where: bonds (distance) C4'-P energy: -140.303 bonds (distance) P-C4' energy: -122.517 flat angles C4'-P-C4' energy: -124.420 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: -75.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1356.741316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.741316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.741316 (E_RNA) where: Base-Base interactions energy: -894.248 where: short stacking energy: -396.221 Base-Backbone interact. energy: 1.982 local terms energy: -464.475563 where: bonds (distance) C4'-P energy: -132.737 bonds (distance) P-C4' energy: -93.148 flat angles C4'-P-C4' energy: -129.462 flat angles P-C4'-P energy: -62.891 tors. eta vs tors. theta energy: -46.237 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: 84 Temperature: 0.900000 Total energy: -2789.218618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.218618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.218618 (E_RNA) where: Base-Base interactions energy: -1974.547 where: short stacking energy: -832.530 Base-Backbone interact. energy: -0.956 local terms energy: -813.715777 where: bonds (distance) C4'-P energy: -157.566 bonds (distance) P-C4' energy: -158.137 flat angles C4'-P-C4' energy: -170.071 flat angles P-C4'-P energy: -119.617 tors. eta vs tors. theta energy: -208.324 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: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2676.216420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.216420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.216420 (E_RNA) where: Base-Base interactions energy: -1867.060 where: short stacking energy: -800.573 Base-Backbone interact. energy: -3.122 local terms energy: -806.033897 where: bonds (distance) C4'-P energy: -140.819 bonds (distance) P-C4' energy: -163.688 flat angles C4'-P-C4' energy: -186.104 flat angles P-C4'-P energy: -105.068 tors. eta vs tors. theta energy: -210.355 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: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2494.854356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.854356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.854356 (E_RNA) where: Base-Base interactions energy: -1745.858 where: short stacking energy: -760.760 Base-Backbone interact. energy: -1.277 local terms energy: -747.719501 where: bonds (distance) C4'-P energy: -136.997 bonds (distance) P-C4' energy: -152.794 flat angles C4'-P-C4' energy: -172.000 flat angles P-C4'-P energy: -109.355 tors. eta vs tors. theta energy: -176.573 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: 4, replica: 8 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2371.988929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.988929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.988929 (E_RNA) where: Base-Base interactions energy: -1634.661 where: short stacking energy: -722.398 Base-Backbone interact. energy: -3.736 local terms energy: -733.592061 where: bonds (distance) C4'-P energy: -146.979 bonds (distance) P-C4' energy: -135.770 flat angles C4'-P-C4' energy: -159.474 flat angles P-C4'-P energy: -122.785 tors. eta vs tors. theta energy: -168.584 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: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2299.263934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.263934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.263934 (E_RNA) where: Base-Base interactions energy: -1592.600 where: short stacking energy: -713.373 Base-Backbone interact. energy: -1.035 local terms energy: -705.629182 where: bonds (distance) C4'-P energy: -145.299 bonds (distance) P-C4' energy: -125.772 flat angles C4'-P-C4' energy: -156.029 flat angles P-C4'-P energy: -99.142 tors. eta vs tors. theta energy: -179.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2073.951964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.951964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.951964 (E_RNA) where: Base-Base interactions energy: -1401.534 where: short stacking energy: -617.143 Base-Backbone interact. energy: -2.932 local terms energy: -669.485605 where: bonds (distance) C4'-P energy: -135.615 bonds (distance) P-C4' energy: -152.482 flat angles C4'-P-C4' energy: -149.113 flat angles P-C4'-P energy: -96.541 tors. eta vs tors. theta energy: -135.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -2020.879154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.879154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.879154 (E_RNA) where: Base-Base interactions energy: -1381.875 where: short stacking energy: -573.293 Base-Backbone interact. energy: 0.439 local terms energy: -639.443496 where: bonds (distance) C4'-P energy: -132.832 bonds (distance) P-C4' energy: -140.558 flat angles C4'-P-C4' energy: -138.938 flat angles P-C4'-P energy: -86.899 tors. eta vs tors. theta energy: -140.216 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: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1615.313847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.313847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.313847 (E_RNA) where: Base-Base interactions energy: -1070.905 where: short stacking energy: -485.573 Base-Backbone interact. energy: -3.535 local terms energy: -540.874623 where: bonds (distance) C4'-P energy: -110.380 bonds (distance) P-C4' energy: -136.092 flat angles C4'-P-C4' energy: -129.193 flat angles P-C4'-P energy: -76.280 tors. eta vs tors. theta energy: -88.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1564.888140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.888140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.888140 (E_RNA) where: Base-Base interactions energy: -1030.160 where: short stacking energy: -468.012 Base-Backbone interact. energy: -0.877 local terms energy: -533.850535 where: bonds (distance) C4'-P energy: -127.390 bonds (distance) P-C4' energy: -135.608 flat angles C4'-P-C4' energy: -127.467 flat angles P-C4'-P energy: -64.515 tors. eta vs tors. theta energy: -78.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -1431.673505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.673505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.673505 (E_RNA) where: Base-Base interactions energy: -923.184 where: short stacking energy: -418.801 Base-Backbone interact. energy: 5.198 local terms energy: -513.686747 where: bonds (distance) C4'-P energy: -132.547 bonds (distance) P-C4' energy: -126.837 flat angles C4'-P-C4' energy: -118.888 flat angles P-C4'-P energy: -62.516 tors. eta vs tors. theta energy: -72.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2827.299357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.299357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.299357 (E_RNA) where: Base-Base interactions energy: -1995.676 where: short stacking energy: -870.536 Base-Backbone interact. energy: -5.301 local terms energy: -826.322384 where: bonds (distance) C4'-P energy: -148.697 bonds (distance) P-C4' energy: -157.573 flat angles C4'-P-C4' energy: -180.831 flat angles P-C4'-P energy: -119.540 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: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2667.500484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.500484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.500484 (E_RNA) where: Base-Base interactions energy: -1852.362 where: short stacking energy: -817.118 Base-Backbone interact. energy: -3.951 local terms energy: -811.187372 where: bonds (distance) C4'-P energy: -154.849 bonds (distance) P-C4' energy: -150.620 flat angles C4'-P-C4' energy: -179.764 flat angles P-C4'-P energy: -114.366 tors. eta vs tors. theta energy: -211.588 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: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2493.148595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.148595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.148595 (E_RNA) where: Base-Base interactions energy: -1749.555 where: short stacking energy: -742.429 Base-Backbone interact. energy: -2.163 local terms energy: -741.430617 where: bonds (distance) C4'-P energy: -136.478 bonds (distance) P-C4' energy: -151.998 flat angles C4'-P-C4' energy: -177.577 flat angles P-C4'-P energy: -109.392 tors. eta vs tors. theta energy: -165.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2417.841361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.841361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.841361 (E_RNA) where: Base-Base interactions energy: -1671.953 where: short stacking energy: -736.368 Base-Backbone interact. energy: -1.658 local terms energy: -744.231206 where: bonds (distance) C4'-P energy: -145.036 bonds (distance) P-C4' energy: -129.179 flat angles C4'-P-C4' energy: -178.477 flat angles P-C4'-P energy: -108.075 tors. eta vs tors. theta energy: -183.465 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: 85 Temperature: 1.100000 Total energy: -2372.005676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.005676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.005676 (E_RNA) where: Base-Base interactions energy: -1642.878 where: short stacking energy: -735.534 Base-Backbone interact. energy: 3.240 local terms energy: -732.367284 where: bonds (distance) C4'-P energy: -141.414 bonds (distance) P-C4' energy: -139.927 flat angles C4'-P-C4' energy: -167.255 flat angles P-C4'-P energy: -101.858 tors. eta vs tors. theta energy: -181.913 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: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2126.292438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.292438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.292438 (E_RNA) where: Base-Base interactions energy: -1455.854 where: short stacking energy: -660.233 Base-Backbone interact. energy: 5.532 local terms energy: -675.970580 where: bonds (distance) C4'-P energy: -123.209 bonds (distance) P-C4' energy: -135.937 flat angles C4'-P-C4' energy: -159.886 flat angles P-C4'-P energy: -109.115 tors. eta vs tors. theta energy: -147.823 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: 85 Temperature: 1.200000 Total energy: -1936.980625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.980625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.980625 (E_RNA) where: Base-Base interactions energy: -1303.425 where: short stacking energy: -576.741 Base-Backbone interact. energy: -2.348 local terms energy: -631.207281 where: bonds (distance) C4'-P energy: -122.703 bonds (distance) P-C4' energy: -137.857 flat angles C4'-P-C4' energy: -143.134 flat angles P-C4'-P energy: -101.011 tors. eta vs tors. theta energy: -126.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1683.014591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.014591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.014591 (E_RNA) where: Base-Base interactions energy: -1127.488 where: short stacking energy: -511.411 Base-Backbone interact. energy: -4.904 local terms energy: -550.622444 where: bonds (distance) C4'-P energy: -123.832 bonds (distance) P-C4' energy: -135.114 flat angles C4'-P-C4' energy: -115.895 flat angles P-C4'-P energy: -71.553 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: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1602.891370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.891370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.891370 (E_RNA) where: Base-Base interactions energy: -1055.569 where: short stacking energy: -489.679 Base-Backbone interact. energy: -4.006 local terms energy: -543.315748 where: bonds (distance) C4'-P energy: -120.550 bonds (distance) P-C4' energy: -112.121 flat angles C4'-P-C4' energy: -132.813 flat angles P-C4'-P energy: -64.282 tors. eta vs tors. theta energy: -113.549 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: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1413.737664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.737664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.737664 (E_RNA) where: Base-Base interactions energy: -918.363 where: short stacking energy: -430.906 Base-Backbone interact. energy: -0.791 local terms energy: -494.583133 where: bonds (distance) C4'-P energy: -106.633 bonds (distance) P-C4' energy: -117.695 flat angles C4'-P-C4' energy: -117.983 flat angles P-C4'-P energy: -83.682 tors. eta vs tors. theta energy: -68.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2798.115911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.115911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.115911 (E_RNA) where: Base-Base interactions energy: -1981.184 where: short stacking energy: -860.891 Base-Backbone interact. energy: -9.055 local terms energy: -807.877000 where: bonds (distance) C4'-P energy: -144.327 bonds (distance) P-C4' energy: -159.971 flat angles C4'-P-C4' energy: -176.420 flat angles P-C4'-P energy: -107.435 tors. eta vs tors. theta energy: -219.724 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: 7 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2676.359539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.359539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.359539 (E_RNA) where: Base-Base interactions energy: -1826.612 where: short stacking energy: -842.563 Base-Backbone interact. energy: -4.307 local terms energy: -845.440988 where: bonds (distance) C4'-P energy: -156.213 bonds (distance) P-C4' energy: -148.401 flat angles C4'-P-C4' energy: -192.738 flat angles P-C4'-P energy: -119.951 tors. eta vs tors. theta energy: -228.137 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: 10 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2502.497965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.497965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.497965 (E_RNA) where: Base-Base interactions energy: -1740.314 where: short stacking energy: -761.826 Base-Backbone interact. energy: -4.930 local terms energy: -757.253782 where: bonds (distance) C4'-P energy: -155.040 bonds (distance) P-C4' energy: -144.567 flat angles C4'-P-C4' energy: -179.986 flat angles P-C4'-P energy: -102.179 tors. eta vs tors. theta energy: -175.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2392.309931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.309931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.309931 (E_RNA) where: Base-Base interactions energy: -1639.628 where: short stacking energy: -739.506 Base-Backbone interact. energy: -1.685 local terms energy: -750.997118 where: bonds (distance) C4'-P energy: -135.590 bonds (distance) P-C4' energy: -170.630 flat angles C4'-P-C4' energy: -163.228 flat angles P-C4'-P energy: -107.385 tors. eta vs tors. theta energy: -174.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2372.177217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.177217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.177217 (E_RNA) where: Base-Base interactions energy: -1640.239 where: short stacking energy: -749.612 Base-Backbone interact. energy: 3.260 local terms energy: -735.198052 where: bonds (distance) C4'-P energy: -127.665 bonds (distance) P-C4' energy: -146.582 flat angles C4'-P-C4' energy: -170.490 flat angles P-C4'-P energy: -94.118 tors. eta vs tors. theta energy: -196.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2107.824643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.824643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.824643 (E_RNA) where: Base-Base interactions energy: -1416.190 where: short stacking energy: -640.728 Base-Backbone interact. energy: 1.115 local terms energy: -692.748882 where: bonds (distance) C4'-P energy: -136.778 bonds (distance) P-C4' energy: -152.463 flat angles C4'-P-C4' energy: -150.733 flat angles P-C4'-P energy: -103.244 tors. eta vs tors. theta energy: -149.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1923.163446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.163446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.163446 (E_RNA) where: Base-Base interactions energy: -1316.451 where: short stacking energy: -584.782 Base-Backbone interact. energy: 5.567 local terms energy: -612.279063 where: bonds (distance) C4'-P energy: -124.839 bonds (distance) P-C4' energy: -143.461 flat angles C4'-P-C4' energy: -140.555 flat angles P-C4'-P energy: -79.647 tors. eta vs tors. theta energy: -123.776 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: 86 Temperature: 1.250000 Total energy: -1748.271299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.271299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.271299 (E_RNA) where: Base-Base interactions energy: -1163.693 where: short stacking energy: -555.147 Base-Backbone interact. energy: -3.212 local terms energy: -581.366886 where: bonds (distance) C4'-P energy: -118.862 bonds (distance) P-C4' energy: -155.918 flat angles C4'-P-C4' energy: -129.317 flat angles P-C4'-P energy: -81.832 tors. eta vs tors. theta energy: -95.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1614.814533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.814533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.814533 (E_RNA) where: Base-Base interactions energy: -1066.432 where: short stacking energy: -482.414 Base-Backbone interact. energy: -2.198 local terms energy: -546.185173 where: bonds (distance) C4'-P energy: -110.210 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -128.613 flat angles P-C4'-P energy: -87.361 tors. eta vs tors. theta energy: -87.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1391.152461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.152461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.152461 (E_RNA) where: Base-Base interactions energy: -907.694 where: short stacking energy: -410.508 Base-Backbone interact. energy: 2.008 local terms energy: -485.466662 where: bonds (distance) C4'-P energy: -118.822 bonds (distance) P-C4' energy: -130.762 flat angles C4'-P-C4' energy: -117.707 flat angles P-C4'-P energy: -77.021 tors. eta vs tors. theta energy: -41.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2835.315149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.315149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.315149 (E_RNA) where: Base-Base interactions energy: -2007.785 where: short stacking energy: -854.201 Base-Backbone interact. energy: -4.712 local terms energy: -822.818036 where: bonds (distance) C4'-P energy: -154.478 bonds (distance) P-C4' energy: -168.106 flat angles C4'-P-C4' energy: -169.169 flat angles P-C4'-P energy: -119.559 tors. eta vs tors. theta energy: -211.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2738.261168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.261168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.261168 (E_RNA) where: Base-Base interactions energy: -1885.862 where: short stacking energy: -854.680 Base-Backbone interact. energy: -3.183 local terms energy: -849.216621 where: bonds (distance) C4'-P energy: -160.722 bonds (distance) P-C4' energy: -150.909 flat angles C4'-P-C4' energy: -175.634 flat angles P-C4'-P energy: -136.141 tors. eta vs tors. theta energy: -225.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2562.382439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.382439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.382439 (E_RNA) where: Base-Base interactions energy: -1771.404 where: short stacking energy: -785.386 Base-Backbone interact. energy: -3.204 local terms energy: -787.774957 where: bonds (distance) C4'-P energy: -150.134 bonds (distance) P-C4' energy: -145.508 flat angles C4'-P-C4' energy: -175.011 flat angles P-C4'-P energy: -120.758 tors. eta vs tors. theta energy: -196.364 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: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2396.711086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.711086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.711086 (E_RNA) where: Base-Base interactions energy: -1658.326 where: short stacking energy: -732.800 Base-Backbone interact. energy: -2.078 local terms energy: -736.307634 where: bonds (distance) C4'-P energy: -156.739 bonds (distance) P-C4' energy: -131.459 flat angles C4'-P-C4' energy: -163.743 flat angles P-C4'-P energy: -90.198 tors. eta vs tors. theta energy: -194.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2310.741434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.741434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.741434 (E_RNA) where: Base-Base interactions energy: -1617.201 where: short stacking energy: -690.594 Base-Backbone interact. energy: 3.741 local terms energy: -697.281622 where: bonds (distance) C4'-P energy: -129.751 bonds (distance) P-C4' energy: -140.289 flat angles C4'-P-C4' energy: -166.622 flat angles P-C4'-P energy: -103.882 tors. eta vs tors. theta energy: -156.738 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: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2097.446728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.446728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.446728 (E_RNA) where: Base-Base interactions energy: -1421.048 where: short stacking energy: -640.044 Base-Backbone interact. energy: 2.140 local terms energy: -678.539183 where: bonds (distance) C4'-P energy: -130.904 bonds (distance) P-C4' energy: -149.048 flat angles C4'-P-C4' energy: -155.646 flat angles P-C4'-P energy: -90.284 tors. eta vs tors. theta energy: -152.657 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: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1881.395819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.395819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.395819 (E_RNA) where: Base-Base interactions energy: -1231.674 where: short stacking energy: -556.742 Base-Backbone interact. energy: 1.729 local terms energy: -651.451126 where: bonds (distance) C4'-P energy: -130.341 bonds (distance) P-C4' energy: -149.211 flat angles C4'-P-C4' energy: -141.411 flat angles P-C4'-P energy: -97.091 tors. eta vs tors. theta energy: -133.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1697.612939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.612939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.612939 (E_RNA) where: Base-Base interactions energy: -1102.590 where: short stacking energy: -490.747 Base-Backbone interact. energy: 0.854 local terms energy: -595.876839 where: bonds (distance) C4'-P energy: -125.205 bonds (distance) P-C4' energy: -124.599 flat angles C4'-P-C4' energy: -152.908 flat angles P-C4'-P energy: -89.876 tors. eta vs tors. theta energy: -103.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1668.242737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.242737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.242737 (E_RNA) where: Base-Base interactions energy: -1104.853 where: short stacking energy: -503.197 Base-Backbone interact. energy: 0.743 local terms energy: -564.132504 where: bonds (distance) C4'-P energy: -112.307 bonds (distance) P-C4' energy: -152.288 flat angles C4'-P-C4' energy: -132.881 flat angles P-C4'-P energy: -79.232 tors. eta vs tors. theta energy: -87.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1477.273123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.273123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.273123 (E_RNA) where: Base-Base interactions energy: -988.850 where: short stacking energy: -433.416 Base-Backbone interact. energy: 3.802 local terms energy: -492.225545 where: bonds (distance) C4'-P energy: -127.964 bonds (distance) P-C4' energy: -129.831 flat angles C4'-P-C4' energy: -121.653 flat angles P-C4'-P energy: -58.329 tors. eta vs tors. theta energy: -54.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2776.808178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.808178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.808178 (E_RNA) where: Base-Base interactions energy: -1928.048 where: short stacking energy: -827.282 Base-Backbone interact. energy: -7.081 local terms energy: -841.678813 where: bonds (distance) C4'-P energy: -182.189 bonds (distance) P-C4' energy: -145.967 flat angles C4'-P-C4' energy: -181.917 flat angles P-C4'-P energy: -112.957 tors. eta vs tors. theta energy: -218.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2735.340541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.340541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.340541 (E_RNA) where: Base-Base interactions energy: -1910.016 where: short stacking energy: -873.529 Base-Backbone interact. energy: -1.232 local terms energy: -824.092198 where: bonds (distance) C4'-P energy: -146.144 bonds (distance) P-C4' energy: -161.345 flat angles C4'-P-C4' energy: -183.316 flat angles P-C4'-P energy: -109.994 tors. eta vs tors. theta energy: -223.293 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: 10 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2563.136566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.136566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.136566 (E_RNA) where: Base-Base interactions energy: -1806.871 where: short stacking energy: -777.153 Base-Backbone interact. energy: 0.840 local terms energy: -757.105504 where: bonds (distance) C4'-P energy: -139.782 bonds (distance) P-C4' energy: -150.829 flat angles C4'-P-C4' energy: -169.325 flat angles P-C4'-P energy: -105.383 tors. eta vs tors. theta energy: -191.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2419.863120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.863120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.863120 (E_RNA) where: Base-Base interactions energy: -1647.999 where: short stacking energy: -758.797 Base-Backbone interact. energy: -3.189 local terms energy: -768.674355 where: bonds (distance) C4'-P energy: -150.711 bonds (distance) P-C4' energy: -148.168 flat angles C4'-P-C4' energy: -167.936 flat angles P-C4'-P energy: -113.707 tors. eta vs tors. theta energy: -188.151 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: 8 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2358.317116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.317116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.317116 (E_RNA) where: Base-Base interactions energy: -1665.273 where: short stacking energy: -701.169 Base-Backbone interact. energy: -0.723 local terms energy: -692.321448 where: bonds (distance) C4'-P energy: -119.508 bonds (distance) P-C4' energy: -133.638 flat angles C4'-P-C4' energy: -170.682 flat angles P-C4'-P energy: -105.164 tors. eta vs tors. theta energy: -163.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2070.443166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.443166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.443166 (E_RNA) where: Base-Base interactions energy: -1389.440 where: short stacking energy: -633.821 Base-Backbone interact. energy: -1.226 local terms energy: -679.777226 where: bonds (distance) C4'-P energy: -143.857 bonds (distance) P-C4' energy: -133.339 flat angles C4'-P-C4' energy: -154.318 flat angles P-C4'-P energy: -88.421 tors. eta vs tors. theta energy: -159.843 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: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1892.739525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.739525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.739525 (E_RNA) where: Base-Base interactions energy: -1266.900 where: short stacking energy: -549.581 Base-Backbone interact. energy: 7.544 local terms energy: -633.383251 where: bonds (distance) C4'-P energy: -122.104 bonds (distance) P-C4' energy: -143.848 flat angles C4'-P-C4' energy: -147.555 flat angles P-C4'-P energy: -110.916 tors. eta vs tors. theta energy: -108.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1759.523753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.523753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.523753 (E_RNA) where: Base-Base interactions energy: -1171.457 where: short stacking energy: -506.774 Base-Backbone interact. energy: -3.598 local terms energy: -584.468190 where: bonds (distance) C4'-P energy: -108.806 bonds (distance) P-C4' energy: -120.874 flat angles C4'-P-C4' energy: -148.206 flat angles P-C4'-P energy: -93.420 tors. eta vs tors. theta energy: -113.163 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: 5 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1670.424442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.424442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.424442 (E_RNA) where: Base-Base interactions energy: -1087.267 where: short stacking energy: -482.304 Base-Backbone interact. energy: 0.171 local terms energy: -583.328949 where: bonds (distance) C4'-P energy: -113.193 bonds (distance) P-C4' energy: -148.243 flat angles C4'-P-C4' energy: -146.796 flat angles P-C4'-P energy: -86.313 tors. eta vs tors. theta energy: -88.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1457.553207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.553207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.553207 (E_RNA) where: Base-Base interactions energy: -953.333 where: short stacking energy: -427.926 Base-Backbone interact. energy: -3.417 local terms energy: -500.803416 where: bonds (distance) C4'-P energy: -112.865 bonds (distance) P-C4' energy: -126.009 flat angles C4'-P-C4' energy: -115.580 flat angles P-C4'-P energy: -91.200 tors. eta vs tors. theta energy: -55.150 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: 1, replica: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2796.481952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.481952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.481952 (E_RNA) where: Base-Base interactions energy: -1967.224 where: short stacking energy: -872.311 Base-Backbone interact. energy: -2.769 local terms energy: -826.489513 where: bonds (distance) C4'-P energy: -158.926 bonds (distance) P-C4' energy: -156.810 flat angles C4'-P-C4' energy: -181.792 flat angles P-C4'-P energy: -102.988 tors. eta vs tors. theta energy: -225.973 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: 7 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2736.434492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.434492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.434492 (E_RNA) where: Base-Base interactions energy: -1901.386 where: short stacking energy: -869.231 Base-Backbone interact. energy: -3.601 local terms energy: -831.447575 where: bonds (distance) C4'-P energy: -139.654 bonds (distance) P-C4' energy: -156.823 flat angles C4'-P-C4' energy: -188.292 flat angles P-C4'-P energy: -115.819 tors. eta vs tors. theta energy: -230.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2569.140638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.140638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.140638 (E_RNA) where: Base-Base interactions energy: -1767.993 where: short stacking energy: -746.246 Base-Backbone interact. energy: -0.413 local terms energy: -800.735083 where: bonds (distance) C4'-P energy: -150.077 bonds (distance) P-C4' energy: -175.007 flat angles C4'-P-C4' energy: -171.686 flat angles P-C4'-P energy: -120.493 tors. eta vs tors. theta energy: -183.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2452.790994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.790994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.790994 (E_RNA) where: Base-Base interactions energy: -1689.678 where: short stacking energy: -744.063 Base-Backbone interact. energy: -0.750 local terms energy: -762.362996 where: bonds (distance) C4'-P energy: -142.729 bonds (distance) P-C4' energy: -143.768 flat angles C4'-P-C4' energy: -170.406 flat angles P-C4'-P energy: -109.601 tors. eta vs tors. theta energy: -195.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2353.967003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.967003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.967003 (E_RNA) where: Base-Base interactions energy: -1621.974 where: short stacking energy: -701.887 Base-Backbone interact. energy: 0.473 local terms energy: -732.466143 where: bonds (distance) C4'-P energy: -140.046 bonds (distance) P-C4' energy: -144.319 flat angles C4'-P-C4' energy: -162.450 flat angles P-C4'-P energy: -115.689 tors. eta vs tors. theta energy: -169.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2053.207071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.207071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.207071 (E_RNA) where: Base-Base interactions energy: -1379.463 where: short stacking energy: -656.546 Base-Backbone interact. energy: 6.459 local terms energy: -680.203480 where: bonds (distance) C4'-P energy: -124.303 bonds (distance) P-C4' energy: -131.007 flat angles C4'-P-C4' energy: -169.967 flat angles P-C4'-P energy: -95.695 tors. eta vs tors. theta energy: -159.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1889.119489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.119489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.119489 (E_RNA) where: Base-Base interactions energy: -1241.057 where: short stacking energy: -525.500 Base-Backbone interact. energy: 7.382 local terms energy: -655.444856 where: bonds (distance) C4'-P energy: -139.015 bonds (distance) P-C4' energy: -153.994 flat angles C4'-P-C4' energy: -147.846 flat angles P-C4'-P energy: -91.366 tors. eta vs tors. theta energy: -123.225 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: 89 Temperature: 1.250000 Total energy: -1863.511061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.511061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.511061 (E_RNA) where: Base-Base interactions energy: -1263.613 where: short stacking energy: -543.181 Base-Backbone interact. energy: -0.927 local terms energy: -598.970930 where: bonds (distance) C4'-P energy: -119.885 bonds (distance) P-C4' energy: -149.043 flat angles C4'-P-C4' energy: -142.309 flat angles P-C4'-P energy: -80.205 tors. eta vs tors. theta energy: -107.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1630.147320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.147320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.147320 (E_RNA) where: Base-Base interactions energy: -1074.758 where: short stacking energy: -475.056 Base-Backbone interact. energy: 6.856 local terms energy: -562.245258 where: bonds (distance) C4'-P energy: -141.932 bonds (distance) P-C4' energy: -119.131 flat angles C4'-P-C4' energy: -141.081 flat angles P-C4'-P energy: -76.103 tors. eta vs tors. theta energy: -83.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1468.588247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.588247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.588247 (E_RNA) where: Base-Base interactions energy: -984.656 where: short stacking energy: -449.181 Base-Backbone interact. energy: -2.552 local terms energy: -481.380109 where: bonds (distance) C4'-P energy: -110.949 bonds (distance) P-C4' energy: -120.400 flat angles C4'-P-C4' energy: -101.551 flat angles P-C4'-P energy: -73.848 tors. eta vs tors. theta energy: -74.632 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: 1, replica: 2 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2821.915830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.915830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.915830 (E_RNA) where: Base-Base interactions energy: -1976.733 where: short stacking energy: -829.036 Base-Backbone interact. energy: -2.302 local terms energy: -842.880795 where: bonds (distance) C4'-P energy: -169.518 bonds (distance) P-C4' energy: -151.304 flat angles C4'-P-C4' energy: -181.506 flat angles P-C4'-P energy: -122.227 tors. eta vs tors. theta energy: -218.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2756.077159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.077159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.077159 (E_RNA) where: Base-Base interactions energy: -1923.307 where: short stacking energy: -876.428 Base-Backbone interact. energy: -2.683 local terms energy: -830.087319 where: bonds (distance) C4'-P energy: -146.534 bonds (distance) P-C4' energy: -153.491 flat angles C4'-P-C4' energy: -194.438 flat angles P-C4'-P energy: -108.683 tors. eta vs tors. theta energy: -226.942 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: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2577.159181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.159181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.159181 (E_RNA) where: Base-Base interactions energy: -1763.165 where: short stacking energy: -796.030 Base-Backbone interact. energy: -4.180 local terms energy: -809.814424 where: bonds (distance) C4'-P energy: -145.777 bonds (distance) P-C4' energy: -177.155 flat angles C4'-P-C4' energy: -175.875 flat angles P-C4'-P energy: -118.067 tors. eta vs tors. theta energy: -192.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2415.081386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.081386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.081386 (E_RNA) where: Base-Base interactions energy: -1674.984 where: short stacking energy: -745.838 Base-Backbone interact. energy: 0.382 local terms energy: -740.479209 where: bonds (distance) C4'-P energy: -136.994 bonds (distance) P-C4' energy: -133.960 flat angles C4'-P-C4' energy: -161.489 flat angles P-C4'-P energy: -112.635 tors. eta vs tors. theta energy: -195.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2386.213500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.213500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.213500 (E_RNA) where: Base-Base interactions energy: -1675.150 where: short stacking energy: -718.632 Base-Backbone interact. energy: -4.052 local terms energy: -707.012403 where: bonds (distance) C4'-P energy: -127.272 bonds (distance) P-C4' energy: -134.970 flat angles C4'-P-C4' energy: -166.365 flat angles P-C4'-P energy: -107.527 tors. eta vs tors. theta energy: -170.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2069.467359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.467359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.467359 (E_RNA) where: Base-Base interactions energy: -1403.219 where: short stacking energy: -671.465 Base-Backbone interact. energy: -3.819 local terms energy: -662.429076 where: bonds (distance) C4'-P energy: -137.003 bonds (distance) P-C4' energy: -133.351 flat angles C4'-P-C4' energy: -146.654 flat angles P-C4'-P energy: -91.086 tors. eta vs tors. theta energy: -154.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1933.941221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.941221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.941221 (E_RNA) where: Base-Base interactions energy: -1295.643 where: short stacking energy: -569.443 Base-Backbone interact. energy: -3.429 local terms energy: -634.869344 where: bonds (distance) C4'-P energy: -138.488 bonds (distance) P-C4' energy: -132.221 flat angles C4'-P-C4' energy: -146.983 flat angles P-C4'-P energy: -97.264 tors. eta vs tors. theta energy: -119.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1868.009317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.009317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.009317 (E_RNA) where: Base-Base interactions energy: -1261.980 where: short stacking energy: -536.214 Base-Backbone interact. energy: 4.181 local terms energy: -610.209731 where: bonds (distance) C4'-P energy: -134.531 bonds (distance) P-C4' energy: -129.587 flat angles C4'-P-C4' energy: -147.616 flat angles P-C4'-P energy: -77.624 tors. eta vs tors. theta energy: -120.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1558.991081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.991081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.991081 (E_RNA) where: Base-Base interactions energy: -1030.389 where: short stacking energy: -460.973 Base-Backbone interact. energy: -3.153 local terms energy: -525.449443 where: bonds (distance) C4'-P energy: -122.999 bonds (distance) P-C4' energy: -124.779 flat angles C4'-P-C4' energy: -118.234 flat angles P-C4'-P energy: -85.417 tors. eta vs tors. theta energy: -74.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -1553.803856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.803856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.803856 (E_RNA) where: Base-Base interactions energy: -984.081 where: short stacking energy: -418.909 Base-Backbone interact. energy: -0.688 local terms energy: -569.034460 where: bonds (distance) C4'-P energy: -134.915 bonds (distance) P-C4' energy: -139.517 flat angles C4'-P-C4' energy: -145.088 flat angles P-C4'-P energy: -73.025 tors. eta vs tors. theta energy: -76.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2792.392436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.392436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.392436 (E_RNA) where: Base-Base interactions energy: -1974.544 where: short stacking energy: -814.534 Base-Backbone interact. energy: -1.897 local terms energy: -815.951662 where: bonds (distance) C4'-P energy: -157.281 bonds (distance) P-C4' energy: -158.600 flat angles C4'-P-C4' energy: -180.970 flat angles P-C4'-P energy: -118.142 tors. eta vs tors. theta energy: -200.959 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: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2758.555795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.555795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.555795 (E_RNA) where: Base-Base interactions energy: -1926.017 where: short stacking energy: -840.649 Base-Backbone interact. energy: 1.887 local terms energy: -834.425204 where: bonds (distance) C4'-P energy: -160.581 bonds (distance) P-C4' energy: -161.141 flat angles C4'-P-C4' energy: -183.645 flat angles P-C4'-P energy: -101.854 tors. eta vs tors. theta energy: -227.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2543.784248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.784248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.784248 (E_RNA) where: Base-Base interactions energy: -1789.902 where: short stacking energy: -785.851 Base-Backbone interact. energy: -4.817 local terms energy: -749.064646 where: bonds (distance) C4'-P energy: -158.707 bonds (distance) P-C4' energy: -128.308 flat angles C4'-P-C4' energy: -172.021 flat angles P-C4'-P energy: -116.179 tors. eta vs tors. theta energy: -173.851 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: 4, replica: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2457.789699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.789699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.789699 (E_RNA) where: Base-Base interactions energy: -1723.767 where: short stacking energy: -761.286 Base-Backbone interact. energy: -1.361 local terms energy: -732.661640 where: bonds (distance) C4'-P energy: -138.611 bonds (distance) P-C4' energy: -145.954 flat angles C4'-P-C4' energy: -158.603 flat angles P-C4'-P energy: -107.302 tors. eta vs tors. theta energy: -182.192 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: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2388.426242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.426242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.426242 (E_RNA) where: Base-Base interactions energy: -1677.657 where: short stacking energy: -712.350 Base-Backbone interact. energy: -2.036 local terms energy: -708.732973 where: bonds (distance) C4'-P energy: -146.372 bonds (distance) P-C4' energy: -141.380 flat angles C4'-P-C4' energy: -156.808 flat angles P-C4'-P energy: -86.092 tors. eta vs tors. theta energy: -178.080 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: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2087.110984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.110984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.110984 (E_RNA) where: Base-Base interactions energy: -1392.579 where: short stacking energy: -627.260 Base-Backbone interact. energy: 6.207 local terms energy: -700.738536 where: bonds (distance) C4'-P energy: -119.402 bonds (distance) P-C4' energy: -157.158 flat angles C4'-P-C4' energy: -155.910 flat angles P-C4'-P energy: -96.491 tors. eta vs tors. theta energy: -171.778 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: 9 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -2055.591868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.591868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.591868 (E_RNA) where: Base-Base interactions energy: -1402.340 where: short stacking energy: -625.052 Base-Backbone interact. energy: -1.149 local terms energy: -652.103174 where: bonds (distance) C4'-P energy: -115.536 bonds (distance) P-C4' energy: -144.431 flat angles C4'-P-C4' energy: -150.555 flat angles P-C4'-P energy: -92.970 tors. eta vs tors. theta energy: -148.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1846.337151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.337151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.337151 (E_RNA) where: Base-Base interactions energy: -1264.170 where: short stacking energy: -509.484 Base-Backbone interact. energy: -6.285 local terms energy: -575.882036 where: bonds (distance) C4'-P energy: -133.382 bonds (distance) P-C4' energy: -124.540 flat angles C4'-P-C4' energy: -112.079 flat angles P-C4'-P energy: -101.381 tors. eta vs tors. theta energy: -104.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1575.121269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.121269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.121269 (E_RNA) where: Base-Base interactions energy: -1041.791 where: short stacking energy: -471.056 Base-Backbone interact. energy: -2.385 local terms energy: -530.944363 where: bonds (distance) C4'-P energy: -111.047 bonds (distance) P-C4' energy: -118.008 flat angles C4'-P-C4' energy: -145.679 flat angles P-C4'-P energy: -70.868 tors. eta vs tors. theta energy: -85.343 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: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1419.810814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.810814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.810814 (E_RNA) where: Base-Base interactions energy: -937.451 where: short stacking energy: -466.063 Base-Backbone interact. energy: 10.644 local terms energy: -493.004481 where: bonds (distance) C4'-P energy: -123.242 bonds (distance) P-C4' energy: -117.145 flat angles C4'-P-C4' energy: -117.257 flat angles P-C4'-P energy: -54.694 tors. eta vs tors. theta energy: -80.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2815.935447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.935447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.935447 (E_RNA) where: Base-Base interactions energy: -1958.560 where: short stacking energy: -835.135 Base-Backbone interact. energy: -2.501 local terms energy: -854.874851 where: bonds (distance) C4'-P energy: -169.700 bonds (distance) P-C4' energy: -171.063 flat angles C4'-P-C4' energy: -178.702 flat angles P-C4'-P energy: -126.313 tors. eta vs tors. theta energy: -209.096 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: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2763.216222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.216222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.216222 (E_RNA) where: Base-Base interactions energy: -1920.196 where: short stacking energy: -844.862 Base-Backbone interact. energy: -1.499 local terms energy: -841.520845 where: bonds (distance) C4'-P energy: -147.200 bonds (distance) P-C4' energy: -165.178 flat angles C4'-P-C4' energy: -175.560 flat angles P-C4'-P energy: -125.485 tors. eta vs tors. theta energy: -228.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2535.646751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.646751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.646751 (E_RNA) where: Base-Base interactions energy: -1763.491 where: short stacking energy: -751.825 Base-Backbone interact. energy: -5.013 local terms energy: -767.143011 where: bonds (distance) C4'-P energy: -142.496 bonds (distance) P-C4' energy: -168.528 flat angles C4'-P-C4' energy: -169.505 flat angles P-C4'-P energy: -101.671 tors. eta vs tors. theta energy: -184.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2474.391871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.391871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.391871 (E_RNA) where: Base-Base interactions energy: -1687.746 where: short stacking energy: -760.559 Base-Backbone interact. energy: -3.140 local terms energy: -783.505183 where: bonds (distance) C4'-P energy: -142.858 bonds (distance) P-C4' energy: -156.228 flat angles C4'-P-C4' energy: -164.931 flat angles P-C4'-P energy: -109.415 tors. eta vs tors. theta energy: -210.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2413.857693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.857693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.857693 (E_RNA) where: Base-Base interactions energy: -1671.906 where: short stacking energy: -727.091 Base-Backbone interact. energy: 0.933 local terms energy: -742.884406 where: bonds (distance) C4'-P energy: -142.928 bonds (distance) P-C4' energy: -141.843 flat angles C4'-P-C4' energy: -161.272 flat angles P-C4'-P energy: -114.812 tors. eta vs tors. theta energy: -182.029 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: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2068.976303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.976303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.976303 (E_RNA) where: Base-Base interactions energy: -1397.675 where: short stacking energy: -614.286 Base-Backbone interact. energy: -0.253 local terms energy: -671.048105 where: bonds (distance) C4'-P energy: -147.750 bonds (distance) P-C4' energy: -127.586 flat angles C4'-P-C4' energy: -152.555 flat angles P-C4'-P energy: -98.734 tors. eta vs tors. theta energy: -144.423 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: 92 Temperature: 1.200000 Total energy: -2030.930899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.930899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.930899 (E_RNA) where: Base-Base interactions energy: -1381.397 where: short stacking energy: -628.972 Base-Backbone interact. energy: 2.045 local terms energy: -651.579527 where: bonds (distance) C4'-P energy: -134.461 bonds (distance) P-C4' energy: -139.321 flat angles C4'-P-C4' energy: -160.333 flat angles P-C4'-P energy: -65.365 tors. eta vs tors. theta energy: -152.099 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: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1778.606987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.606987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.606987 (E_RNA) where: Base-Base interactions energy: -1187.250 where: short stacking energy: -512.239 Base-Backbone interact. energy: -3.693 local terms energy: -587.663683 where: bonds (distance) C4'-P energy: -117.367 bonds (distance) P-C4' energy: -154.489 flat angles C4'-P-C4' energy: -130.763 flat angles P-C4'-P energy: -87.925 tors. eta vs tors. theta energy: -97.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1545.813189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.813189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.813189 (E_RNA) where: Base-Base interactions energy: -1014.748 where: short stacking energy: -485.312 Base-Backbone interact. energy: -0.848 local terms energy: -530.217863 where: bonds (distance) C4'-P energy: -100.466 bonds (distance) P-C4' energy: -129.777 flat angles C4'-P-C4' energy: -131.547 flat angles P-C4'-P energy: -87.397 tors. eta vs tors. theta energy: -81.030 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: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1450.918921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.918921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.918921 (E_RNA) where: Base-Base interactions energy: -922.781 where: short stacking energy: -424.764 Base-Backbone interact. energy: 2.481 local terms energy: -530.618855 where: bonds (distance) C4'-P energy: -132.364 bonds (distance) P-C4' energy: -153.831 flat angles C4'-P-C4' energy: -130.726 flat angles P-C4'-P energy: -60.927 tors. eta vs tors. theta energy: -52.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2816.747345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.747345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.747345 (E_RNA) where: Base-Base interactions energy: -1971.325 where: short stacking energy: -856.198 Base-Backbone interact. energy: -5.015 local terms energy: -840.407475 where: bonds (distance) C4'-P energy: -146.851 bonds (distance) P-C4' energy: -162.690 flat angles C4'-P-C4' energy: -182.561 flat angles P-C4'-P energy: -131.519 tors. eta vs tors. theta energy: -216.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2800.857714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.857714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.857714 (E_RNA) where: Base-Base interactions energy: -1979.555 where: short stacking energy: -860.746 Base-Backbone interact. energy: -5.175 local terms energy: -816.128109 where: bonds (distance) C4'-P energy: -150.919 bonds (distance) P-C4' energy: -149.512 flat angles C4'-P-C4' energy: -174.750 flat angles P-C4'-P energy: -116.541 tors. eta vs tors. theta energy: -224.406 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: 3, replica: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2528.672923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.672923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.672923 (E_RNA) where: Base-Base interactions energy: -1757.269 where: short stacking energy: -741.934 Base-Backbone interact. energy: -3.478 local terms energy: -767.925583 where: bonds (distance) C4'-P energy: -145.348 bonds (distance) P-C4' energy: -172.294 flat angles C4'-P-C4' energy: -158.088 flat angles P-C4'-P energy: -119.232 tors. eta vs tors. theta energy: -172.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2482.722163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.722163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.722163 (E_RNA) where: Base-Base interactions energy: -1724.403 where: short stacking energy: -740.871 Base-Backbone interact. energy: -1.591 local terms energy: -756.727674 where: bonds (distance) C4'-P energy: -141.971 bonds (distance) P-C4' energy: -143.525 flat angles C4'-P-C4' energy: -183.025 flat angles P-C4'-P energy: -94.630 tors. eta vs tors. theta energy: -193.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2453.984691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.984691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.984691 (E_RNA) where: Base-Base interactions energy: -1710.076 where: short stacking energy: -719.956 Base-Backbone interact. energy: 3.447 local terms energy: -747.355693 where: bonds (distance) C4'-P energy: -152.769 bonds (distance) P-C4' energy: -157.511 flat angles C4'-P-C4' energy: -155.917 flat angles P-C4'-P energy: -102.787 tors. eta vs tors. theta energy: -178.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2131.111961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.111961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.111961 (E_RNA) where: Base-Base interactions energy: -1459.119 where: short stacking energy: -659.747 Base-Backbone interact. energy: -5.890 local terms energy: -666.102992 where: bonds (distance) C4'-P energy: -152.997 bonds (distance) P-C4' energy: -138.782 flat angles C4'-P-C4' energy: -147.198 flat angles P-C4'-P energy: -87.182 tors. eta vs tors. theta energy: -139.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -2016.163364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.163364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.163364 (E_RNA) where: Base-Base interactions energy: -1364.156 where: short stacking energy: -639.252 Base-Backbone interact. energy: -5.322 local terms energy: -646.685450 where: bonds (distance) C4'-P energy: -139.202 bonds (distance) P-C4' energy: -128.448 flat angles C4'-P-C4' energy: -133.356 flat angles P-C4'-P energy: -107.074 tors. eta vs tors. theta energy: -138.606 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: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1787.586126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.586126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.586126 (E_RNA) where: Base-Base interactions energy: -1231.288 where: short stacking energy: -550.079 Base-Backbone interact. energy: -6.680 local terms energy: -549.618465 where: bonds (distance) C4'-P energy: -121.773 bonds (distance) P-C4' energy: -120.038 flat angles C4'-P-C4' energy: -117.143 flat angles P-C4'-P energy: -90.046 tors. eta vs tors. theta energy: -100.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1583.163417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.163417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.163417 (E_RNA) where: Base-Base interactions energy: -1015.509 where: short stacking energy: -455.326 Base-Backbone interact. energy: -2.762 local terms energy: -564.891926 where: bonds (distance) C4'-P energy: -133.517 bonds (distance) P-C4' energy: -147.439 flat angles C4'-P-C4' energy: -124.770 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -76.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1326.199309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.199309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.199309 (E_RNA) where: Base-Base interactions energy: -824.194 where: short stacking energy: -385.551 Base-Backbone interact. energy: 7.086 local terms energy: -509.090771 where: bonds (distance) C4'-P energy: -120.982 bonds (distance) P-C4' energy: -132.087 flat angles C4'-P-C4' energy: -136.183 flat angles P-C4'-P energy: -78.134 tors. eta vs tors. theta energy: -41.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2801.938894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.938894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.938894 (E_RNA) where: Base-Base interactions energy: -1928.194 where: short stacking energy: -832.126 Base-Backbone interact. energy: -2.696 local terms energy: -871.048483 where: bonds (distance) C4'-P energy: -164.546 bonds (distance) P-C4' energy: -169.455 flat angles C4'-P-C4' energy: -190.633 flat angles P-C4'-P energy: -123.779 tors. eta vs tors. theta energy: -222.636 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: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2769.441419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.441419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.441419 (E_RNA) where: Base-Base interactions energy: -1969.744 where: short stacking energy: -835.515 Base-Backbone interact. energy: -5.011 local terms energy: -794.686377 where: bonds (distance) C4'-P energy: -127.080 bonds (distance) P-C4' energy: -160.544 flat angles C4'-P-C4' energy: -177.843 flat angles P-C4'-P energy: -109.004 tors. eta vs tors. theta energy: -220.217 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: 94 Temperature: 1.000000 Total energy: -2579.979974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.979974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.979974 (E_RNA) where: Base-Base interactions energy: -1791.117 where: short stacking energy: -785.579 Base-Backbone interact. energy: 1.058 local terms energy: -789.920728 where: bonds (distance) C4'-P energy: -155.397 bonds (distance) P-C4' energy: -153.655 flat angles C4'-P-C4' energy: -181.157 flat angles P-C4'-P energy: -118.090 tors. eta vs tors. theta energy: -181.622 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: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2469.348769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.348769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.348769 (E_RNA) where: Base-Base interactions energy: -1718.767 where: short stacking energy: -756.630 Base-Backbone interact. energy: -2.131 local terms energy: -748.450620 where: bonds (distance) C4'-P energy: -143.866 bonds (distance) P-C4' energy: -123.861 flat angles C4'-P-C4' energy: -172.596 flat angles P-C4'-P energy: -110.764 tors. eta vs tors. theta energy: -197.363 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: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2431.187846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.187846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.187846 (E_RNA) where: Base-Base interactions energy: -1706.606 where: short stacking energy: -735.004 Base-Backbone interact. energy: -0.857 local terms energy: -723.725029 where: bonds (distance) C4'-P energy: -142.849 bonds (distance) P-C4' energy: -129.610 flat angles C4'-P-C4' energy: -169.379 flat angles P-C4'-P energy: -106.120 tors. eta vs tors. theta energy: -175.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2146.721835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.721835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.721835 (E_RNA) where: Base-Base interactions energy: -1505.720 where: short stacking energy: -662.509 Base-Backbone interact. energy: -3.484 local terms energy: -637.517198 where: bonds (distance) C4'-P energy: -133.186 bonds (distance) P-C4' energy: -123.105 flat angles C4'-P-C4' energy: -139.879 flat angles P-C4'-P energy: -87.555 tors. eta vs tors. theta energy: -153.792 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: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1970.632543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.632543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.632543 (E_RNA) where: Base-Base interactions energy: -1322.986 where: short stacking energy: -602.702 Base-Backbone interact. energy: 3.197 local terms energy: -650.844007 where: bonds (distance) C4'-P energy: -131.516 bonds (distance) P-C4' energy: -126.106 flat angles C4'-P-C4' energy: -143.717 flat angles P-C4'-P energy: -102.991 tors. eta vs tors. theta energy: -146.514 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: 8, replica: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1732.981350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.981350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.981350 (E_RNA) where: Base-Base interactions energy: -1150.762 where: short stacking energy: -546.006 Base-Backbone interact. energy: 7.032 local terms energy: -589.251683 where: bonds (distance) C4'-P energy: -100.520 bonds (distance) P-C4' energy: -144.529 flat angles C4'-P-C4' energy: -126.216 flat angles P-C4'-P energy: -99.847 tors. eta vs tors. theta energy: -118.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1533.456295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.456295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.456295 (E_RNA) where: Base-Base interactions energy: -989.338 where: short stacking energy: -450.173 Base-Backbone interact. energy: -1.716 local terms energy: -542.402792 where: bonds (distance) C4'-P energy: -136.088 bonds (distance) P-C4' energy: -140.704 flat angles C4'-P-C4' energy: -115.051 flat angles P-C4'-P energy: -80.255 tors. eta vs tors. theta energy: -70.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1337.049674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.049674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.049674 (E_RNA) where: Base-Base interactions energy: -833.446 where: short stacking energy: -418.905 Base-Backbone interact. energy: -2.356 local terms energy: -501.248214 where: bonds (distance) C4'-P energy: -119.130 bonds (distance) P-C4' energy: -133.085 flat angles C4'-P-C4' energy: -128.643 flat angles P-C4'-P energy: -64.687 tors. eta vs tors. theta energy: -55.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2819.075256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.075256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.075256 (E_RNA) where: Base-Base interactions energy: -1973.276 where: short stacking energy: -836.684 Base-Backbone interact. energy: -3.706 local terms energy: -842.093478 where: bonds (distance) C4'-P energy: -159.638 bonds (distance) P-C4' energy: -164.224 flat angles C4'-P-C4' energy: -189.214 flat angles P-C4'-P energy: -120.588 tors. eta vs tors. theta energy: -208.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2775.192206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.192206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.192206 (E_RNA) where: Base-Base interactions energy: -1942.148 where: short stacking energy: -849.317 Base-Backbone interact. energy: -2.997 local terms energy: -830.046926 where: bonds (distance) C4'-P energy: -163.783 bonds (distance) P-C4' energy: -172.792 flat angles C4'-P-C4' energy: -167.498 flat angles P-C4'-P energy: -106.846 tors. eta vs tors. theta energy: -219.128 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: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2559.795707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.795707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.795707 (E_RNA) where: Base-Base interactions energy: -1782.213 where: short stacking energy: -754.296 Base-Backbone interact. energy: -0.973 local terms energy: -776.609948 where: bonds (distance) C4'-P energy: -141.268 bonds (distance) P-C4' energy: -167.924 flat angles C4'-P-C4' energy: -165.560 flat angles P-C4'-P energy: -114.961 tors. eta vs tors. theta energy: -186.896 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: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2499.381820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.381820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.381820 (E_RNA) where: Base-Base interactions energy: -1723.841 where: short stacking energy: -768.171 Base-Backbone interact. energy: -2.171 local terms energy: -773.370157 where: bonds (distance) C4'-P energy: -139.774 bonds (distance) P-C4' energy: -137.254 flat angles C4'-P-C4' energy: -179.024 flat angles P-C4'-P energy: -119.321 tors. eta vs tors. theta energy: -197.996 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: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2393.766841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.766841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.766841 (E_RNA) where: Base-Base interactions energy: -1708.763 where: short stacking energy: -695.821 Base-Backbone interact. energy: -5.772 local terms energy: -679.232063 where: bonds (distance) C4'-P energy: -110.043 bonds (distance) P-C4' energy: -160.195 flat angles C4'-P-C4' energy: -158.658 flat angles P-C4'-P energy: -87.237 tors. eta vs tors. theta energy: -163.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2204.409652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.409652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.409652 (E_RNA) where: Base-Base interactions energy: -1522.979 where: short stacking energy: -662.380 Base-Backbone interact. energy: -2.603 local terms energy: -678.827866 where: bonds (distance) C4'-P energy: -127.505 bonds (distance) P-C4' energy: -156.249 flat angles C4'-P-C4' energy: -144.987 flat angles P-C4'-P energy: -97.509 tors. eta vs tors. theta energy: -152.578 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: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1990.122138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.122138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.122138 (E_RNA) where: Base-Base interactions energy: -1373.412 where: short stacking energy: -611.017 Base-Backbone interact. energy: -3.447 local terms energy: -613.263851 where: bonds (distance) C4'-P energy: -118.815 bonds (distance) P-C4' energy: -124.235 flat angles C4'-P-C4' energy: -151.011 flat angles P-C4'-P energy: -89.306 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: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1664.656033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.656033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.656033 (E_RNA) where: Base-Base interactions energy: -1102.456 where: short stacking energy: -481.513 Base-Backbone interact. energy: 0.083 local terms energy: -562.283190 where: bonds (distance) C4'-P energy: -127.050 bonds (distance) P-C4' energy: -143.209 flat angles C4'-P-C4' energy: -134.942 flat angles P-C4'-P energy: -66.661 tors. eta vs tors. theta energy: -90.422 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: 1 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1529.119752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.119752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.119752 (E_RNA) where: Base-Base interactions energy: -1010.850 where: short stacking energy: -467.873 Base-Backbone interact. energy: 1.041 local terms energy: -519.310524 where: bonds (distance) C4'-P energy: -134.533 bonds (distance) P-C4' energy: -116.768 flat angles C4'-P-C4' energy: -139.737 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: -73.602 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: 5 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1307.841133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.841133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.841133 (E_RNA) where: Base-Base interactions energy: -810.375 where: short stacking energy: -360.693 Base-Backbone interact. energy: -0.632 local terms energy: -496.834817 where: bonds (distance) C4'-P energy: -102.072 bonds (distance) P-C4' energy: -125.216 flat angles C4'-P-C4' energy: -129.142 flat angles P-C4'-P energy: -78.415 tors. eta vs tors. theta energy: -61.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2807.758820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.758820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.758820 (E_RNA) where: Base-Base interactions energy: -1969.316 where: short stacking energy: -833.615 Base-Backbone interact. energy: -6.669 local terms energy: -831.773751 where: bonds (distance) C4'-P energy: -150.865 bonds (distance) P-C4' energy: -166.835 flat angles C4'-P-C4' energy: -176.074 flat angles P-C4'-P energy: -126.110 tors. eta vs tors. theta energy: -211.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2771.314999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.314999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.314999 (E_RNA) where: Base-Base interactions energy: -1947.752 where: short stacking energy: -840.368 Base-Backbone interact. energy: -4.707 local terms energy: -818.856255 where: bonds (distance) C4'-P energy: -170.509 bonds (distance) P-C4' energy: -154.652 flat angles C4'-P-C4' energy: -169.330 flat angles P-C4'-P energy: -114.978 tors. eta vs tors. theta energy: -209.388 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: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2551.498427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.498427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.498427 (E_RNA) where: Base-Base interactions energy: -1816.936 where: short stacking energy: -811.492 Base-Backbone interact. energy: -4.071 local terms energy: -730.491457 where: bonds (distance) C4'-P energy: -144.307 bonds (distance) P-C4' energy: -142.329 flat angles C4'-P-C4' energy: -161.290 flat angles P-C4'-P energy: -97.465 tors. eta vs tors. theta energy: -185.100 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: 96 Temperature: 1.050000 Total energy: -2534.591263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.591263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.591263 (E_RNA) where: Base-Base interactions energy: -1749.558 where: short stacking energy: -768.073 Base-Backbone interact. energy: 0.727 local terms energy: -785.760080 where: bonds (distance) C4'-P energy: -151.284 bonds (distance) P-C4' energy: -143.097 flat angles C4'-P-C4' energy: -177.070 flat angles P-C4'-P energy: -114.321 tors. eta vs tors. theta energy: -199.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2362.496680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.496680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.496680 (E_RNA) where: Base-Base interactions energy: -1661.262 where: short stacking energy: -710.168 Base-Backbone interact. energy: -1.555 local terms energy: -699.680220 where: bonds (distance) C4'-P energy: -142.345 bonds (distance) P-C4' energy: -140.675 flat angles C4'-P-C4' energy: -153.856 flat angles P-C4'-P energy: -96.823 tors. eta vs tors. theta energy: -165.981 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: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2195.617600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.617600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.617600 (E_RNA) where: Base-Base interactions energy: -1580.443 where: short stacking energy: -669.802 Base-Backbone interact. energy: -4.373 local terms energy: -610.802045 where: bonds (distance) C4'-P energy: -112.139 bonds (distance) P-C4' energy: -101.919 flat angles C4'-P-C4' energy: -143.961 flat angles P-C4'-P energy: -99.606 tors. eta vs tors. theta energy: -153.177 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: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1981.302377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.302377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.302377 (E_RNA) where: Base-Base interactions energy: -1309.822 where: short stacking energy: -593.790 Base-Backbone interact. energy: -2.397 local terms energy: -669.082661 where: bonds (distance) C4'-P energy: -141.106 bonds (distance) P-C4' energy: -143.146 flat angles C4'-P-C4' energy: -141.808 flat angles P-C4'-P energy: -101.143 tors. eta vs tors. theta energy: -141.879 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: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1626.615223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.615223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.615223 (E_RNA) where: Base-Base interactions energy: -1078.345 where: short stacking energy: -468.685 Base-Backbone interact. energy: 2.817 local terms energy: -551.088028 where: bonds (distance) C4'-P energy: -127.935 bonds (distance) P-C4' energy: -139.437 flat angles C4'-P-C4' energy: -134.385 flat angles P-C4'-P energy: -68.664 tors. eta vs tors. theta energy: -80.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1569.796683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.796683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.796683 (E_RNA) where: Base-Base interactions energy: -1019.827 where: short stacking energy: -464.712 Base-Backbone interact. energy: -2.036 local terms energy: -547.933618 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -154.484 flat angles C4'-P-C4' energy: -130.574 flat angles P-C4'-P energy: -74.454 tors. eta vs tors. theta energy: -82.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1323.459506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.459506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.459506 (E_RNA) where: Base-Base interactions energy: -843.968 where: short stacking energy: -413.418 Base-Backbone interact. energy: -0.326 local terms energy: -479.166039 where: bonds (distance) C4'-P energy: -108.971 bonds (distance) P-C4' energy: -122.032 flat angles C4'-P-C4' energy: -109.951 flat angles P-C4'-P energy: -88.341 tors. eta vs tors. theta energy: -49.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2808.363819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.363819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.363819 (E_RNA) where: Base-Base interactions energy: -1976.417 where: short stacking energy: -842.814 Base-Backbone interact. energy: -1.432 local terms energy: -830.515574 where: bonds (distance) C4'-P energy: -159.656 bonds (distance) P-C4' energy: -158.679 flat angles C4'-P-C4' energy: -175.607 flat angles P-C4'-P energy: -119.673 tors. eta vs tors. theta energy: -216.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2767.587153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.587153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.587153 (E_RNA) where: Base-Base interactions energy: -1933.404 where: short stacking energy: -823.775 Base-Backbone interact. energy: -4.778 local terms energy: -829.405244 where: bonds (distance) C4'-P energy: -143.203 bonds (distance) P-C4' energy: -161.676 flat angles C4'-P-C4' energy: -181.998 flat angles P-C4'-P energy: -119.236 tors. eta vs tors. theta energy: -223.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2574.452465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.452465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.452465 (E_RNA) where: Base-Base interactions energy: -1780.572 where: short stacking energy: -789.916 Base-Backbone interact. energy: -4.478 local terms energy: -789.402343 where: bonds (distance) C4'-P energy: -149.590 bonds (distance) P-C4' energy: -156.312 flat angles C4'-P-C4' energy: -178.389 flat angles P-C4'-P energy: -113.096 tors. eta vs tors. theta energy: -192.015 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: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2543.413210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.413210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.413210 (E_RNA) where: Base-Base interactions energy: -1762.980 where: short stacking energy: -773.660 Base-Backbone interact. energy: 1.986 local terms energy: -782.418813 where: bonds (distance) C4'-P energy: -148.315 bonds (distance) P-C4' energy: -153.045 flat angles C4'-P-C4' energy: -161.355 flat angles P-C4'-P energy: -124.160 tors. eta vs tors. theta energy: -195.544 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: 97 Temperature: 1.100000 Total energy: -2394.580593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.580593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.580593 (E_RNA) where: Base-Base interactions energy: -1673.623 where: short stacking energy: -667.395 Base-Backbone interact. energy: 1.966 local terms energy: -722.924117 where: bonds (distance) C4'-P energy: -152.231 bonds (distance) P-C4' energy: -151.482 flat angles C4'-P-C4' energy: -144.095 flat angles P-C4'-P energy: -106.472 tors. eta vs tors. theta energy: -168.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2217.255503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.255503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.255503 (E_RNA) where: Base-Base interactions energy: -1523.924 where: short stacking energy: -682.467 Base-Backbone interact. energy: -3.985 local terms energy: -689.346096 where: bonds (distance) C4'-P energy: -169.624 bonds (distance) P-C4' energy: -127.622 flat angles C4'-P-C4' energy: -146.994 flat angles P-C4'-P energy: -89.627 tors. eta vs tors. theta energy: -155.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -2007.632383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.632383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.632383 (E_RNA) where: Base-Base interactions energy: -1363.364 where: short stacking energy: -585.963 Base-Backbone interact. energy: -2.280 local terms energy: -641.988430 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -150.057 flat angles C4'-P-C4' energy: -135.522 flat angles P-C4'-P energy: -92.434 tors. eta vs tors. theta energy: -122.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1708.211826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.211826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.211826 (E_RNA) where: Base-Base interactions energy: -1131.490 where: short stacking energy: -534.836 Base-Backbone interact. energy: 1.629 local terms energy: -578.350650 where: bonds (distance) C4'-P energy: -126.975 bonds (distance) P-C4' energy: -132.678 flat angles C4'-P-C4' energy: -132.493 flat angles P-C4'-P energy: -71.595 tors. eta vs tors. theta energy: -114.609 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: 97 Temperature: 1.300000 Total energy: -1632.728189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.728189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.728189 (E_RNA) where: Base-Base interactions energy: -1102.932 where: short stacking energy: -480.595 Base-Backbone interact. energy: 3.538 local terms energy: -533.334205 where: bonds (distance) C4'-P energy: -102.295 bonds (distance) P-C4' energy: -124.188 flat angles C4'-P-C4' energy: -128.412 flat angles P-C4'-P energy: -81.923 tors. eta vs tors. theta energy: -96.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1373.342454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.342454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.342454 (E_RNA) where: Base-Base interactions energy: -907.294 where: short stacking energy: -430.003 Base-Backbone interact. energy: -2.927 local terms energy: -463.121544 where: bonds (distance) C4'-P energy: -112.110 bonds (distance) P-C4' energy: -117.063 flat angles C4'-P-C4' energy: -120.125 flat angles P-C4'-P energy: -69.372 tors. eta vs tors. theta energy: -44.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2786.689078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.689078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.689078 (E_RNA) where: Base-Base interactions energy: -1941.764 where: short stacking energy: -831.561 Base-Backbone interact. energy: -3.157 local terms energy: -841.768451 where: bonds (distance) C4'-P energy: -169.340 bonds (distance) P-C4' energy: -157.976 flat angles C4'-P-C4' energy: -184.728 flat angles P-C4'-P energy: -121.042 tors. eta vs tors. theta energy: -208.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2774.301734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.301734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.301734 (E_RNA) where: Base-Base interactions energy: -1914.879 where: short stacking energy: -825.604 Base-Backbone interact. energy: 0.436 local terms energy: -859.858340 where: bonds (distance) C4'-P energy: -167.568 bonds (distance) P-C4' energy: -163.155 flat angles C4'-P-C4' energy: -187.228 flat angles P-C4'-P energy: -123.063 tors. eta vs tors. theta energy: -218.845 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: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2628.918207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.918207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.918207 (E_RNA) where: Base-Base interactions energy: -1792.856 where: short stacking energy: -813.504 Base-Backbone interact. energy: 0.266 local terms energy: -836.328623 where: bonds (distance) C4'-P energy: -144.362 bonds (distance) P-C4' energy: -153.746 flat angles C4'-P-C4' energy: -180.149 flat angles P-C4'-P energy: -133.541 tors. eta vs tors. theta energy: -224.532 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: 4, replica: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2447.422267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.422267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.422267 (E_RNA) where: Base-Base interactions energy: -1707.431 where: short stacking energy: -731.999 Base-Backbone interact. energy: -1.970 local terms energy: -738.020762 where: bonds (distance) C4'-P energy: -131.670 bonds (distance) P-C4' energy: -152.986 flat angles C4'-P-C4' energy: -174.624 flat angles P-C4'-P energy: -103.862 tors. eta vs tors. theta energy: -174.879 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: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2347.767589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.767589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.767589 (E_RNA) where: Base-Base interactions energy: -1637.304 where: short stacking energy: -693.664 Base-Backbone interact. energy: 0.501 local terms energy: -710.964145 where: bonds (distance) C4'-P energy: -130.084 bonds (distance) P-C4' energy: -160.181 flat angles C4'-P-C4' energy: -158.679 flat angles P-C4'-P energy: -105.158 tors. eta vs tors. theta energy: -156.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2253.908337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.908337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.908337 (E_RNA) where: Base-Base interactions energy: -1571.609 where: short stacking energy: -700.175 Base-Backbone interact. energy: -1.927 local terms energy: -680.373201 where: bonds (distance) C4'-P energy: -146.774 bonds (distance) P-C4' energy: -124.681 flat angles C4'-P-C4' energy: -150.410 flat angles P-C4'-P energy: -99.805 tors. eta vs tors. theta energy: -158.704 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: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1966.748469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.748469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.748469 (E_RNA) where: Base-Base interactions energy: -1329.852 where: short stacking energy: -607.049 Base-Backbone interact. energy: -3.904 local terms energy: -632.992936 where: bonds (distance) C4'-P energy: -116.132 bonds (distance) P-C4' energy: -138.322 flat angles C4'-P-C4' energy: -144.804 flat angles P-C4'-P energy: -85.636 tors. eta vs tors. theta energy: -148.099 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: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1693.641879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.641879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.641879 (E_RNA) where: Base-Base interactions energy: -1141.473 where: short stacking energy: -540.837 Base-Backbone interact. energy: 8.878 local terms energy: -561.046315 where: bonds (distance) C4'-P energy: -139.332 bonds (distance) P-C4' energy: -130.267 flat angles C4'-P-C4' energy: -119.125 flat angles P-C4'-P energy: -70.954 tors. eta vs tors. theta energy: -101.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1629.624336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.624336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.624336 (E_RNA) where: Base-Base interactions energy: -1056.815 where: short stacking energy: -486.449 Base-Backbone interact. energy: -1.806 local terms energy: -571.004031 where: bonds (distance) C4'-P energy: -128.631 bonds (distance) P-C4' energy: -120.263 flat angles C4'-P-C4' energy: -144.936 flat angles P-C4'-P energy: -81.062 tors. eta vs tors. theta energy: -96.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1369.343093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.343093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.343093 (E_RNA) where: Base-Base interactions energy: -869.592 where: short stacking energy: -399.934 Base-Backbone interact. energy: 1.714 local terms energy: -501.465865 where: bonds (distance) C4'-P energy: -136.149 bonds (distance) P-C4' energy: -105.450 flat angles C4'-P-C4' energy: -143.221 flat angles P-C4'-P energy: -69.239 tors. eta vs tors. theta energy: -47.407 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: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2850.454224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.454224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.454224 (E_RNA) where: Base-Base interactions energy: -1992.254 where: short stacking energy: -838.125 Base-Backbone interact. energy: -3.798 local terms energy: -854.402777 where: bonds (distance) C4'-P energy: -166.704 bonds (distance) P-C4' energy: -169.693 flat angles C4'-P-C4' energy: -186.535 flat angles P-C4'-P energy: -115.078 tors. eta vs tors. theta energy: -216.393 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: 2, replica: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2782.892523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.892523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.892523 (E_RNA) where: Base-Base interactions energy: -1973.138 where: short stacking energy: -863.397 Base-Backbone interact. energy: -2.425 local terms energy: -807.329565 where: bonds (distance) C4'-P energy: -144.516 bonds (distance) P-C4' energy: -142.044 flat angles C4'-P-C4' energy: -182.235 flat angles P-C4'-P energy: -112.871 tors. eta vs tors. theta energy: -225.663 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: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2619.515557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.515557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.515557 (E_RNA) where: Base-Base interactions energy: -1796.291 where: short stacking energy: -818.582 Base-Backbone interact. energy: -0.965 local terms energy: -822.259515 where: bonds (distance) C4'-P energy: -152.879 bonds (distance) P-C4' energy: -150.459 flat angles C4'-P-C4' energy: -176.154 flat angles P-C4'-P energy: -114.204 tors. eta vs tors. theta energy: -228.563 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: 8 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2489.142245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.142245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.142245 (E_RNA) where: Base-Base interactions energy: -1767.461 where: short stacking energy: -751.176 Base-Backbone interact. energy: -4.311 local terms energy: -717.370315 where: bonds (distance) C4'-P energy: -140.661 bonds (distance) P-C4' energy: -129.869 flat angles C4'-P-C4' energy: -169.626 flat angles P-C4'-P energy: -98.669 tors. eta vs tors. theta energy: -178.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2368.393351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.393351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.393351 (E_RNA) where: Base-Base interactions energy: -1632.661 where: short stacking energy: -685.258 Base-Backbone interact. energy: -2.678 local terms energy: -733.054954 where: bonds (distance) C4'-P energy: -127.496 bonds (distance) P-C4' energy: -156.440 flat angles C4'-P-C4' energy: -166.143 flat angles P-C4'-P energy: -117.496 tors. eta vs tors. theta energy: -165.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2219.342282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.342282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.342282 (E_RNA) where: Base-Base interactions energy: -1529.998 where: short stacking energy: -654.580 Base-Backbone interact. energy: -2.330 local terms energy: -687.014626 where: bonds (distance) C4'-P energy: -143.930 bonds (distance) P-C4' energy: -146.164 flat angles C4'-P-C4' energy: -154.018 flat angles P-C4'-P energy: -91.654 tors. eta vs tors. theta energy: -151.249 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: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1947.775198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.775198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.775198 (E_RNA) where: Base-Base interactions energy: -1291.271 where: short stacking energy: -579.148 Base-Backbone interact. energy: -4.280 local terms energy: -652.224195 where: bonds (distance) C4'-P energy: -144.679 bonds (distance) P-C4' energy: -142.273 flat angles C4'-P-C4' energy: -133.012 flat angles P-C4'-P energy: -81.888 tors. eta vs tors. theta energy: -150.372 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: 99 Temperature: 1.250000 Total energy: -1703.062653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.062653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.062653 (E_RNA) where: Base-Base interactions energy: -1104.565 where: short stacking energy: -512.063 Base-Backbone interact. energy: -2.643 local terms energy: -595.854995 where: bonds (distance) C4'-P energy: -139.528 bonds (distance) P-C4' energy: -142.788 flat angles C4'-P-C4' energy: -142.306 flat angles P-C4'-P energy: -76.867 tors. eta vs tors. theta energy: -94.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1540.981946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.981946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.981946 (E_RNA) where: Base-Base interactions energy: -991.563 where: short stacking energy: -460.563 Base-Backbone interact. energy: -0.840 local terms energy: -548.579605 where: bonds (distance) C4'-P energy: -126.748 bonds (distance) P-C4' energy: -131.711 flat angles C4'-P-C4' energy: -119.319 flat angles P-C4'-P energy: -76.423 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: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -1371.794739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.794739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.794739 (E_RNA) where: Base-Base interactions energy: -900.821 where: short stacking energy: -416.586 Base-Backbone interact. energy: -0.352 local terms energy: -470.621626 where: bonds (distance) C4'-P energy: -100.327 bonds (distance) P-C4' energy: -113.243 flat angles C4'-P-C4' energy: -107.480 flat angles P-C4'-P energy: -73.809 tors. eta vs tors. theta energy: -75.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2847.581227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.581227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.581227 (E_RNA) where: Base-Base interactions energy: -2017.497 where: short stacking energy: -857.643 Base-Backbone interact. energy: -0.554 local terms energy: -829.530335 where: bonds (distance) C4'-P energy: -164.101 bonds (distance) P-C4' energy: -156.679 flat angles C4'-P-C4' energy: -174.036 flat angles P-C4'-P energy: -119.827 tors. eta vs tors. theta energy: -214.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2755.738472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.738472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.738472 (E_RNA) where: Base-Base interactions energy: -1907.235 where: short stacking energy: -831.886 Base-Backbone interact. energy: -0.200 local terms energy: -848.304274 where: bonds (distance) C4'-P energy: -154.698 bonds (distance) P-C4' energy: -169.850 flat angles C4'-P-C4' energy: -189.581 flat angles P-C4'-P energy: -122.305 tors. eta vs tors. theta energy: -211.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2607.241708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.241708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.241708 (E_RNA) where: Base-Base interactions energy: -1784.799 where: short stacking energy: -783.137 Base-Backbone interact. energy: -0.805 local terms energy: -821.637721 where: bonds (distance) C4'-P energy: -162.189 bonds (distance) P-C4' energy: -163.740 flat angles C4'-P-C4' energy: -163.631 flat angles P-C4'-P energy: -127.005 tors. eta vs tors. theta energy: -205.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2512.767577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.767577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.767577 (E_RNA) where: Base-Base interactions energy: -1747.407 where: short stacking energy: -725.099 Base-Backbone interact. energy: -5.282 local terms energy: -760.078307 where: bonds (distance) C4'-P energy: -133.232 bonds (distance) P-C4' energy: -154.876 flat angles C4'-P-C4' energy: -172.272 flat angles P-C4'-P energy: -117.918 tors. eta vs tors. theta energy: -181.780 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: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2341.524243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.524243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.524243 (E_RNA) where: Base-Base interactions energy: -1686.201 where: short stacking energy: -740.897 Base-Backbone interact. energy: -0.429 local terms energy: -654.893905 where: bonds (distance) C4'-P energy: -122.898 bonds (distance) P-C4' energy: -142.041 flat angles C4'-P-C4' energy: -144.711 flat angles P-C4'-P energy: -88.525 tors. eta vs tors. theta energy: -156.719 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: 9 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2305.306000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.306000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.306000 (E_RNA) where: Base-Base interactions energy: -1598.396 where: short stacking energy: -701.132 Base-Backbone interact. energy: -2.527 local terms energy: -704.382962 where: bonds (distance) C4'-P energy: -141.599 bonds (distance) P-C4' energy: -163.141 flat angles C4'-P-C4' energy: -147.020 flat angles P-C4'-P energy: -79.203 tors. eta vs tors. theta energy: -173.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1918.427149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.427149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.427149 (E_RNA) where: Base-Base interactions energy: -1279.720 where: short stacking energy: -591.772 Base-Backbone interact. energy: -0.928 local terms energy: -637.778435 where: bonds (distance) C4'-P energy: -116.272 bonds (distance) P-C4' energy: -145.078 flat angles C4'-P-C4' energy: -145.554 flat angles P-C4'-P energy: -93.314 tors. eta vs tors. theta energy: -137.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1736.409624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.409624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.409624 (E_RNA) where: Base-Base interactions energy: -1147.364 where: short stacking energy: -512.274 Base-Backbone interact. energy: -1.105 local terms energy: -587.941328 where: bonds (distance) C4'-P energy: -130.982 bonds (distance) P-C4' energy: -129.538 flat angles C4'-P-C4' energy: -157.117 flat angles P-C4'-P energy: -84.989 tors. eta vs tors. theta energy: -85.316 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: 6 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1526.071338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.071338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.071338 (E_RNA) where: Base-Base interactions energy: -1011.737 where: short stacking energy: -474.674 Base-Backbone interact. energy: 9.968 local terms energy: -524.301839 where: bonds (distance) C4'-P energy: -110.931 bonds (distance) P-C4' energy: -107.097 flat angles C4'-P-C4' energy: -140.325 flat angles P-C4'-P energy: -82.110 tors. eta vs tors. theta energy: -83.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1361.060949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.060949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.060949 (E_RNA) where: Base-Base interactions energy: -852.509 where: short stacking energy: -359.614 Base-Backbone interact. energy: -0.902 local terms energy: -507.650069 where: bonds (distance) C4'-P energy: -110.632 bonds (distance) P-C4' energy: -130.996 flat angles C4'-P-C4' energy: -138.249 flat angles P-C4'-P energy: -86.795 tors. eta vs tors. theta energy: -40.978 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: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2825.745187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.745187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.745187 (E_RNA) where: Base-Base interactions energy: -1969.801 where: short stacking energy: -840.619 Base-Backbone interact. energy: -4.529 local terms energy: -851.415665 where: bonds (distance) C4'-P energy: -159.907 bonds (distance) P-C4' energy: -165.956 flat angles C4'-P-C4' energy: -187.908 flat angles P-C4'-P energy: -120.909 tors. eta vs tors. theta energy: -216.735 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: 2, replica: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2797.573701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.573701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.573701 (E_RNA) where: Base-Base interactions energy: -1969.633 where: short stacking energy: -864.591 Base-Backbone interact. energy: 1.795 local terms energy: -829.735610 where: bonds (distance) C4'-P energy: -143.688 bonds (distance) P-C4' energy: -152.231 flat angles C4'-P-C4' energy: -176.575 flat angles P-C4'-P energy: -132.064 tors. eta vs tors. theta energy: -225.177 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: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2608.895885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.895885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.895885 (E_RNA) where: Base-Base interactions energy: -1793.667 where: short stacking energy: -782.231 Base-Backbone interact. energy: -1.983 local terms energy: -813.246266 where: bonds (distance) C4'-P energy: -152.069 bonds (distance) P-C4' energy: -155.456 flat angles C4'-P-C4' energy: -168.226 flat angles P-C4'-P energy: -124.479 tors. eta vs tors. theta energy: -213.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2444.796689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.796689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.796689 (E_RNA) where: Base-Base interactions energy: -1676.824 where: short stacking energy: -716.905 Base-Backbone interact. energy: -1.729 local terms energy: -766.243807 where: bonds (distance) C4'-P energy: -152.153 bonds (distance) P-C4' energy: -151.193 flat angles C4'-P-C4' energy: -166.049 flat angles P-C4'-P energy: -111.851 tors. eta vs tors. theta energy: -184.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2372.805171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.805171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.805171 (E_RNA) where: Base-Base interactions energy: -1638.788 where: short stacking energy: -725.672 Base-Backbone interact. energy: -5.221 local terms energy: -728.796738 where: bonds (distance) C4'-P energy: -149.960 bonds (distance) P-C4' energy: -153.039 flat angles C4'-P-C4' energy: -152.164 flat angles P-C4'-P energy: -106.910 tors. eta vs tors. theta energy: -166.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2306.791358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.791358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.791358 (E_RNA) where: Base-Base interactions energy: -1601.737 where: short stacking energy: -708.903 Base-Backbone interact. energy: -0.197 local terms energy: -704.857177 where: bonds (distance) C4'-P energy: -140.703 bonds (distance) P-C4' energy: -149.213 flat angles C4'-P-C4' energy: -153.694 flat angles P-C4'-P energy: -90.778 tors. eta vs tors. theta energy: -170.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1920.123260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.123260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.123260 (E_RNA) where: Base-Base interactions energy: -1261.252 where: short stacking energy: -581.460 Base-Backbone interact. energy: -0.094 local terms energy: -658.777200 where: bonds (distance) C4'-P energy: -130.647 bonds (distance) P-C4' energy: -165.478 flat angles C4'-P-C4' energy: -140.031 flat angles P-C4'-P energy: -83.271 tors. eta vs tors. theta energy: -139.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1845.175294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.175294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.175294 (E_RNA) where: Base-Base interactions energy: -1218.716 where: short stacking energy: -539.494 Base-Backbone interact. energy: -2.335 local terms energy: -624.124160 where: bonds (distance) C4'-P energy: -129.275 bonds (distance) P-C4' energy: -151.692 flat angles C4'-P-C4' energy: -149.907 flat angles P-C4'-P energy: -87.734 tors. eta vs tors. theta energy: -105.516 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: 9, replica: 6 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1560.016054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.016054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.016054 (E_RNA) where: Base-Base interactions energy: -1002.879 where: short stacking energy: -459.380 Base-Backbone interact. energy: 2.487 local terms energy: -559.623721 where: bonds (distance) C4'-P energy: -136.011 bonds (distance) P-C4' energy: -132.461 flat angles C4'-P-C4' energy: -129.269 flat angles P-C4'-P energy: -76.222 tors. eta vs tors. theta energy: -85.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1369.627001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.627001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.627001 (E_RNA) where: Base-Base interactions energy: -861.900 where: short stacking energy: -398.897 Base-Backbone interact. energy: 1.895 local terms energy: -509.621590 where: bonds (distance) C4'-P energy: -132.813 bonds (distance) P-C4' energy: -115.752 flat angles C4'-P-C4' energy: -121.035 flat angles P-C4'-P energy: -81.305 tors. eta vs tors. theta energy: -58.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2804.489764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.489764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.489764 (E_RNA) where: Base-Base interactions energy: -1970.827 where: short stacking energy: -834.065 Base-Backbone interact. energy: -4.518 local terms energy: -829.145375 where: bonds (distance) C4'-P energy: -151.954 bonds (distance) P-C4' energy: -167.231 flat angles C4'-P-C4' energy: -177.721 flat angles P-C4'-P energy: -119.568 tors. eta vs tors. theta energy: -212.670 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: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2802.132299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.132299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.132299 (E_RNA) where: Base-Base interactions energy: -1955.283 where: short stacking energy: -879.975 Base-Backbone interact. energy: -2.069 local terms energy: -844.780345 where: bonds (distance) C4'-P energy: -150.794 bonds (distance) P-C4' energy: -154.164 flat angles C4'-P-C4' energy: -179.075 flat angles P-C4'-P energy: -123.746 tors. eta vs tors. theta energy: -237.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2586.271930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.271930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.271930 (E_RNA) where: Base-Base interactions energy: -1774.072 where: short stacking energy: -816.701 Base-Backbone interact. energy: -2.283 local terms energy: -809.916733 where: bonds (distance) C4'-P energy: -160.721 bonds (distance) P-C4' energy: -155.088 flat angles C4'-P-C4' energy: -175.705 flat angles P-C4'-P energy: -109.189 tors. eta vs tors. theta energy: -209.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2496.420407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.420407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.420407 (E_RNA) where: Base-Base interactions energy: -1741.246 where: short stacking energy: -729.348 Base-Backbone interact. energy: 0.761 local terms energy: -755.935622 where: bonds (distance) C4'-P energy: -137.354 bonds (distance) P-C4' energy: -161.304 flat angles C4'-P-C4' energy: -168.844 flat angles P-C4'-P energy: -97.549 tors. eta vs tors. theta energy: -190.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2379.191300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.191300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.191300 (E_RNA) where: Base-Base interactions energy: -1648.996 where: short stacking energy: -694.634 Base-Backbone interact. energy: -3.438 local terms energy: -726.756814 where: bonds (distance) C4'-P energy: -154.063 bonds (distance) P-C4' energy: -145.599 flat angles C4'-P-C4' energy: -160.333 flat angles P-C4'-P energy: -101.160 tors. eta vs tors. theta energy: -165.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2311.850278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.850278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.850278 (E_RNA) where: Base-Base interactions energy: -1617.816 where: short stacking energy: -697.389 Base-Backbone interact. energy: -0.490 local terms energy: -693.543780 where: bonds (distance) C4'-P energy: -121.545 bonds (distance) P-C4' energy: -139.841 flat angles C4'-P-C4' energy: -159.664 flat angles P-C4'-P energy: -108.853 tors. eta vs tors. theta energy: -163.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1939.373721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.373721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.373721 (E_RNA) where: Base-Base interactions energy: -1309.114 where: short stacking energy: -587.499 Base-Backbone interact. energy: -0.598 local terms energy: -629.662209 where: bonds (distance) C4'-P energy: -122.404 bonds (distance) P-C4' energy: -138.261 flat angles C4'-P-C4' energy: -156.249 flat angles P-C4'-P energy: -87.289 tors. eta vs tors. theta energy: -125.458 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: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1785.874413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.874413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.874413 (E_RNA) where: Base-Base interactions energy: -1202.536 where: short stacking energy: -521.356 Base-Backbone interact. energy: -1.405 local terms energy: -581.933423 where: bonds (distance) C4'-P energy: -140.976 bonds (distance) P-C4' energy: -108.987 flat angles C4'-P-C4' energy: -151.301 flat angles P-C4'-P energy: -81.668 tors. eta vs tors. theta energy: -99.000 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: 6 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1446.592016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.592016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.592016 (E_RNA) where: Base-Base interactions energy: -878.911 where: short stacking energy: -417.102 Base-Backbone interact. energy: 3.918 local terms energy: -571.598669 where: bonds (distance) C4'-P energy: -130.866 bonds (distance) P-C4' energy: -137.846 flat angles C4'-P-C4' energy: -133.886 flat angles P-C4'-P energy: -90.276 tors. eta vs tors. theta energy: -78.723 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: 5 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1285.438007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.438007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.438007 (E_RNA) where: Base-Base interactions energy: -812.199 where: short stacking energy: -376.292 Base-Backbone interact. energy: 0.568 local terms energy: -473.806765 where: bonds (distance) C4'-P energy: -134.377 bonds (distance) P-C4' energy: -123.528 flat angles C4'-P-C4' energy: -124.129 flat angles P-C4'-P energy: -52.819 tors. eta vs tors. theta energy: -38.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2790.934696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.934696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.934696 (E_RNA) where: Base-Base interactions energy: -1954.424 where: short stacking energy: -839.607 Base-Backbone interact. energy: 3.899 local terms energy: -840.409792 where: bonds (distance) C4'-P energy: -163.879 bonds (distance) P-C4' energy: -169.512 flat angles C4'-P-C4' energy: -171.356 flat angles P-C4'-P energy: -122.276 tors. eta vs tors. theta energy: -213.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2772.668170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.668170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.668170 (E_RNA) where: Base-Base interactions energy: -1921.482 where: short stacking energy: -869.565 Base-Backbone interact. energy: -5.387 local terms energy: -845.799098 where: bonds (distance) C4'-P energy: -153.165 bonds (distance) P-C4' energy: -167.382 flat angles C4'-P-C4' energy: -176.239 flat angles P-C4'-P energy: -117.423 tors. eta vs tors. theta energy: -231.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2580.799329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.799329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.799329 (E_RNA) where: Base-Base interactions energy: -1774.303 where: short stacking energy: -781.365 Base-Backbone interact. energy: -3.436 local terms energy: -803.059845 where: bonds (distance) C4'-P energy: -139.663 bonds (distance) P-C4' energy: -155.771 flat angles C4'-P-C4' energy: -173.396 flat angles P-C4'-P energy: -123.602 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: 4, replica: 8 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2537.697811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.697811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.697811 (E_RNA) where: Base-Base interactions energy: -1769.520 where: short stacking energy: -781.388 Base-Backbone interact. energy: -5.806 local terms energy: -762.371918 where: bonds (distance) C4'-P energy: -134.421 bonds (distance) P-C4' energy: -153.204 flat angles C4'-P-C4' energy: -164.370 flat angles P-C4'-P energy: -106.166 tors. eta vs tors. theta energy: -204.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2413.136288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.136288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.136288 (E_RNA) where: Base-Base interactions energy: -1643.126 where: short stacking energy: -725.681 Base-Backbone interact. energy: -4.338 local terms energy: -765.672695 where: bonds (distance) C4'-P energy: -144.642 bonds (distance) P-C4' energy: -155.416 flat angles C4'-P-C4' energy: -167.217 flat angles P-C4'-P energy: -101.276 tors. eta vs tors. theta energy: -197.121 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: 9 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2326.722110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.722110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.722110 (E_RNA) where: Base-Base interactions energy: -1613.700 where: short stacking energy: -718.583 Base-Backbone interact. energy: 1.420 local terms energy: -714.441634 where: bonds (distance) C4'-P energy: -134.379 bonds (distance) P-C4' energy: -133.923 flat angles C4'-P-C4' energy: -162.217 flat angles P-C4'-P energy: -110.092 tors. eta vs tors. theta energy: -173.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1901.404172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.404172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.404172 (E_RNA) where: Base-Base interactions energy: -1260.154 where: short stacking energy: -568.063 Base-Backbone interact. energy: 2.764 local terms energy: -644.014117 where: bonds (distance) C4'-P energy: -138.745 bonds (distance) P-C4' energy: -139.106 flat angles C4'-P-C4' energy: -139.854 flat angles P-C4'-P energy: -107.524 tors. eta vs tors. theta energy: -118.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1789.973559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.973559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.973559 (E_RNA) where: Base-Base interactions energy: -1191.516 where: short stacking energy: -521.379 Base-Backbone interact. energy: 6.311 local terms energy: -604.768788 where: bonds (distance) C4'-P energy: -135.031 bonds (distance) P-C4' energy: -155.175 flat angles C4'-P-C4' energy: -131.904 flat angles P-C4'-P energy: -82.791 tors. eta vs tors. theta energy: -99.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1400.465245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.465245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.465245 (E_RNA) where: Base-Base interactions energy: -896.041 where: short stacking energy: -425.312 Base-Backbone interact. energy: -2.712 local terms energy: -501.713086 where: bonds (distance) C4'-P energy: -127.789 bonds (distance) P-C4' energy: -118.444 flat angles C4'-P-C4' energy: -125.683 flat angles P-C4'-P energy: -58.867 tors. eta vs tors. theta energy: -70.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1308.158341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.158341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.158341 (E_RNA) where: Base-Base interactions energy: -804.914 where: short stacking energy: -381.300 Base-Backbone interact. energy: 4.962 local terms energy: -508.206173 where: bonds (distance) C4'-P energy: -114.913 bonds (distance) P-C4' energy: -141.814 flat angles C4'-P-C4' energy: -124.695 flat angles P-C4'-P energy: -80.011 tors. eta vs tors. theta energy: -46.773 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: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2855.475068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.475068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.475068 (E_RNA) where: Base-Base interactions energy: -1980.299 where: short stacking energy: -864.529 Base-Backbone interact. energy: -4.208 local terms energy: -870.967682 where: bonds (distance) C4'-P energy: -152.437 bonds (distance) P-C4' energy: -168.643 flat angles C4'-P-C4' energy: -177.155 flat angles P-C4'-P energy: -134.885 tors. eta vs tors. theta energy: -237.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2749.841380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.841380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.841380 (E_RNA) where: Base-Base interactions energy: -1952.858 where: short stacking energy: -819.519 Base-Backbone interact. energy: -7.737 local terms energy: -789.245745 where: bonds (distance) C4'-P energy: -148.541 bonds (distance) P-C4' energy: -157.061 flat angles C4'-P-C4' energy: -158.887 flat angles P-C4'-P energy: -114.586 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: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2583.414940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.414940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.414940 (E_RNA) where: Base-Base interactions energy: -1795.594 where: short stacking energy: -764.803 Base-Backbone interact. energy: -3.732 local terms energy: -784.088583 where: bonds (distance) C4'-P energy: -149.651 bonds (distance) P-C4' energy: -147.608 flat angles C4'-P-C4' energy: -165.334 flat angles P-C4'-P energy: -111.800 tors. eta vs tors. theta energy: -209.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2580.590084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.590084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.590084 (E_RNA) where: Base-Base interactions energy: -1821.539 where: short stacking energy: -735.105 Base-Backbone interact. energy: -2.445 local terms energy: -756.605883 where: bonds (distance) C4'-P energy: -145.712 bonds (distance) P-C4' energy: -158.539 flat angles C4'-P-C4' energy: -153.282 flat angles P-C4'-P energy: -107.322 tors. eta vs tors. theta energy: -191.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2382.879372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.879372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.879372 (E_RNA) where: Base-Base interactions energy: -1655.449 where: short stacking energy: -737.719 Base-Backbone interact. energy: 1.471 local terms energy: -728.901762 where: bonds (distance) C4'-P energy: -144.592 bonds (distance) P-C4' energy: -152.317 flat angles C4'-P-C4' energy: -149.885 flat angles P-C4'-P energy: -108.200 tors. eta vs tors. theta energy: -173.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2289.572626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.572626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.572626 (E_RNA) where: Base-Base interactions energy: -1553.401 where: short stacking energy: -668.442 Base-Backbone interact. energy: -3.545 local terms energy: -732.626477 where: bonds (distance) C4'-P energy: -143.280 bonds (distance) P-C4' energy: -155.829 flat angles C4'-P-C4' energy: -170.907 flat angles P-C4'-P energy: -100.787 tors. eta vs tors. theta energy: -161.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1958.052466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.052466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.052466 (E_RNA) where: Base-Base interactions energy: -1329.103 where: short stacking energy: -608.891 Base-Backbone interact. energy: -2.294 local terms energy: -626.655295 where: bonds (distance) C4'-P energy: -125.744 bonds (distance) P-C4' energy: -138.321 flat angles C4'-P-C4' energy: -144.358 flat angles P-C4'-P energy: -80.292 tors. eta vs tors. theta energy: -137.940 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: 104 Temperature: 1.250000 Total energy: -1806.624222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.624222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.624222 (E_RNA) where: Base-Base interactions energy: -1221.411 where: short stacking energy: -527.825 Base-Backbone interact. energy: 2.247 local terms energy: -587.460287 where: bonds (distance) C4'-P energy: -125.430 bonds (distance) P-C4' energy: -114.601 flat angles C4'-P-C4' energy: -146.735 flat angles P-C4'-P energy: -84.482 tors. eta vs tors. theta energy: -116.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1362.073686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.073686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.073686 (E_RNA) where: Base-Base interactions energy: -882.599 where: short stacking energy: -393.756 Base-Backbone interact. energy: -2.676 local terms energy: -476.799413 where: bonds (distance) C4'-P energy: -129.007 bonds (distance) P-C4' energy: -117.138 flat angles C4'-P-C4' energy: -109.434 flat angles P-C4'-P energy: -75.960 tors. eta vs tors. theta energy: -45.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1405.172675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.172675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.172675 (E_RNA) where: Base-Base interactions energy: -892.154 where: short stacking energy: -391.923 Base-Backbone interact. energy: -1.947 local terms energy: -511.071275 where: bonds (distance) C4'-P energy: -111.379 bonds (distance) P-C4' energy: -141.408 flat angles C4'-P-C4' energy: -131.548 flat angles P-C4'-P energy: -74.979 tors. eta vs tors. theta energy: -51.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2855.511787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.511787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.511787 (E_RNA) where: Base-Base interactions energy: -1995.706 where: short stacking energy: -865.467 Base-Backbone interact. energy: -6.073 local terms energy: -853.733118 where: bonds (distance) C4'-P energy: -157.003 bonds (distance) P-C4' energy: -162.184 flat angles C4'-P-C4' energy: -174.678 flat angles P-C4'-P energy: -125.767 tors. eta vs tors. theta energy: -234.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2756.155324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.155324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.155324 (E_RNA) where: Base-Base interactions energy: -1932.894 where: short stacking energy: -798.001 Base-Backbone interact. energy: -0.052 local terms energy: -823.209339 where: bonds (distance) C4'-P energy: -158.165 bonds (distance) P-C4' energy: -169.606 flat angles C4'-P-C4' energy: -167.314 flat angles P-C4'-P energy: -116.003 tors. eta vs tors. theta energy: -212.123 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: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2610.745243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.745243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.745243 (E_RNA) where: Base-Base interactions energy: -1810.283 where: short stacking energy: -785.064 Base-Backbone interact. energy: 1.840 local terms energy: -802.302603 where: bonds (distance) C4'-P energy: -146.717 bonds (distance) P-C4' energy: -162.753 flat angles C4'-P-C4' energy: -161.635 flat angles P-C4'-P energy: -119.839 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: 4, replica: 8 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2508.317201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.317201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.317201 (E_RNA) where: Base-Base interactions energy: -1730.682 where: short stacking energy: -721.621 Base-Backbone interact. energy: -1.541 local terms energy: -776.093681 where: bonds (distance) C4'-P energy: -150.243 bonds (distance) P-C4' energy: -160.184 flat angles C4'-P-C4' energy: -174.939 flat angles P-C4'-P energy: -102.953 tors. eta vs tors. theta energy: -187.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2396.956930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.956930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.956930 (E_RNA) where: Base-Base interactions energy: -1668.299 where: short stacking energy: -713.571 Base-Backbone interact. energy: -2.824 local terms energy: -725.834475 where: bonds (distance) C4'-P energy: -148.335 bonds (distance) P-C4' energy: -144.174 flat angles C4'-P-C4' energy: -161.581 flat angles P-C4'-P energy: -97.339 tors. eta vs tors. theta energy: -174.405 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: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2256.526959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.526959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.526959 (E_RNA) where: Base-Base interactions energy: -1613.951 where: short stacking energy: -701.173 Base-Backbone interact. energy: 2.726 local terms energy: -645.302415 where: bonds (distance) C4'-P energy: -136.283 bonds (distance) P-C4' energy: -144.185 flat angles C4'-P-C4' energy: -131.558 flat angles P-C4'-P energy: -71.479 tors. eta vs tors. theta energy: -161.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1958.746449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.746449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.746449 (E_RNA) where: Base-Base interactions energy: -1330.757 where: short stacking energy: -627.308 Base-Backbone interact. energy: 0.327 local terms energy: -628.317088 where: bonds (distance) C4'-P energy: -114.146 bonds (distance) P-C4' energy: -151.729 flat angles C4'-P-C4' energy: -138.577 flat angles P-C4'-P energy: -93.523 tors. eta vs tors. theta energy: -130.342 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: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1736.042668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.042668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.042668 (E_RNA) where: Base-Base interactions energy: -1149.786 where: short stacking energy: -513.771 Base-Backbone interact. energy: -0.909 local terms energy: -585.348214 where: bonds (distance) C4'-P energy: -153.269 bonds (distance) P-C4' energy: -129.905 flat angles C4'-P-C4' energy: -130.626 flat angles P-C4'-P energy: -72.605 tors. eta vs tors. theta energy: -98.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1451.305955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.305955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.305955 (E_RNA) where: Base-Base interactions energy: -899.115 where: short stacking energy: -403.017 Base-Backbone interact. energy: -3.443 local terms energy: -548.748073 where: bonds (distance) C4'-P energy: -129.621 bonds (distance) P-C4' energy: -132.604 flat angles C4'-P-C4' energy: -140.124 flat angles P-C4'-P energy: -83.803 tors. eta vs tors. theta energy: -62.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1394.684160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.684160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.684160 (E_RNA) where: Base-Base interactions energy: -885.619 where: short stacking energy: -413.733 Base-Backbone interact. energy: -4.269 local terms energy: -504.796114 where: bonds (distance) C4'-P energy: -123.635 bonds (distance) P-C4' energy: -126.451 flat angles C4'-P-C4' energy: -121.385 flat angles P-C4'-P energy: -84.030 tors. eta vs tors. theta energy: -49.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2839.103927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.103927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.103927 (E_RNA) where: Base-Base interactions energy: -1979.728 where: short stacking energy: -867.854 Base-Backbone interact. energy: -2.643 local terms energy: -856.732610 where: bonds (distance) C4'-P energy: -145.528 bonds (distance) P-C4' energy: -161.537 flat angles C4'-P-C4' energy: -180.155 flat angles P-C4'-P energy: -129.144 tors. eta vs tors. theta energy: -240.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2753.692418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.692418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.692418 (E_RNA) where: Base-Base interactions energy: -1987.250 where: short stacking energy: -819.894 Base-Backbone interact. energy: 0.333 local terms energy: -766.775392 where: bonds (distance) C4'-P energy: -157.319 bonds (distance) P-C4' energy: -142.719 flat angles C4'-P-C4' energy: -159.370 flat angles P-C4'-P energy: -103.114 tors. eta vs tors. theta energy: -204.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2595.231308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.231308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.231308 (E_RNA) where: Base-Base interactions energy: -1808.487 where: short stacking energy: -788.198 Base-Backbone interact. energy: -2.315 local terms energy: -784.429243 where: bonds (distance) C4'-P energy: -157.250 bonds (distance) P-C4' energy: -151.706 flat angles C4'-P-C4' energy: -175.007 flat angles P-C4'-P energy: -101.286 tors. eta vs tors. theta energy: -199.180 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: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2552.962438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.962438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.962438 (E_RNA) where: Base-Base interactions energy: -1792.304 where: short stacking energy: -759.827 Base-Backbone interact. energy: -2.636 local terms energy: -758.022261 where: bonds (distance) C4'-P energy: -136.849 bonds (distance) P-C4' energy: -156.654 flat angles C4'-P-C4' energy: -161.571 flat angles P-C4'-P energy: -112.656 tors. eta vs tors. theta energy: -190.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2448.601247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.601247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.601247 (E_RNA) where: Base-Base interactions energy: -1728.018 where: short stacking energy: -724.882 Base-Backbone interact. energy: 1.224 local terms energy: -721.806906 where: bonds (distance) C4'-P energy: -146.356 bonds (distance) P-C4' energy: -132.555 flat angles C4'-P-C4' energy: -171.075 flat angles P-C4'-P energy: -93.349 tors. eta vs tors. theta energy: -178.472 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: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2282.530883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.530883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.530883 (E_RNA) where: Base-Base interactions energy: -1600.857 where: short stacking energy: -667.854 Base-Backbone interact. energy: -0.048 local terms energy: -681.625261 where: bonds (distance) C4'-P energy: -121.096 bonds (distance) P-C4' energy: -142.326 flat angles C4'-P-C4' energy: -153.767 flat angles P-C4'-P energy: -104.177 tors. eta vs tors. theta energy: -160.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1976.254585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.254585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.254585 (E_RNA) where: Base-Base interactions energy: -1347.077 where: short stacking energy: -624.817 Base-Backbone interact. energy: -0.153 local terms energy: -629.024609 where: bonds (distance) C4'-P energy: -132.207 bonds (distance) P-C4' energy: -133.478 flat angles C4'-P-C4' energy: -153.095 flat angles P-C4'-P energy: -73.591 tors. eta vs tors. theta energy: -136.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1789.530273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.530273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.530273 (E_RNA) where: Base-Base interactions energy: -1198.962 where: short stacking energy: -512.857 Base-Backbone interact. energy: 5.745 local terms energy: -596.313223 where: bonds (distance) C4'-P energy: -128.928 bonds (distance) P-C4' energy: -137.046 flat angles C4'-P-C4' energy: -149.225 flat angles P-C4'-P energy: -73.955 tors. eta vs tors. theta energy: -107.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1411.727841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.727841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.727841 (E_RNA) where: Base-Base interactions energy: -900.170 where: short stacking energy: -430.448 Base-Backbone interact. energy: 1.286 local terms energy: -512.844601 where: bonds (distance) C4'-P energy: -116.508 bonds (distance) P-C4' energy: -139.442 flat angles C4'-P-C4' energy: -129.406 flat angles P-C4'-P energy: -71.086 tors. eta vs tors. theta energy: -56.402 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: 5 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1335.675610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.675610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.675610 (E_RNA) where: Base-Base interactions energy: -861.046 where: short stacking energy: -424.394 Base-Backbone interact. energy: 4.065 local terms energy: -478.695292 where: bonds (distance) C4'-P energy: -120.929 bonds (distance) P-C4' energy: -102.843 flat angles C4'-P-C4' energy: -140.332 flat angles P-C4'-P energy: -69.749 tors. eta vs tors. theta energy: -44.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2875.772388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.772388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.772388 (E_RNA) where: Base-Base interactions energy: -2015.067 where: short stacking energy: -836.417 Base-Backbone interact. energy: -4.650 local terms energy: -856.054848 where: bonds (distance) C4'-P energy: -157.420 bonds (distance) P-C4' energy: -155.364 flat angles C4'-P-C4' energy: -169.606 flat angles P-C4'-P energy: -138.385 tors. eta vs tors. theta energy: -235.280 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: 107 Temperature: 0.950000 Total energy: -2772.582827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.582827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.582827 (E_RNA) where: Base-Base interactions energy: -1945.824 where: short stacking energy: -853.566 Base-Backbone interact. energy: -6.622 local terms energy: -820.137622 where: bonds (distance) C4'-P energy: -156.647 bonds (distance) P-C4' energy: -165.992 flat angles C4'-P-C4' energy: -172.093 flat angles P-C4'-P energy: -111.296 tors. eta vs tors. theta energy: -214.110 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: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2601.482262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.482262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.482262 (E_RNA) where: Base-Base interactions energy: -1818.259 where: short stacking energy: -795.904 Base-Backbone interact. energy: -0.926 local terms energy: -782.297345 where: bonds (distance) C4'-P energy: -150.566 bonds (distance) P-C4' energy: -153.785 flat angles C4'-P-C4' energy: -158.759 flat angles P-C4'-P energy: -120.303 tors. eta vs tors. theta energy: -198.885 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: 10 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2503.413505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.413505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.413505 (E_RNA) where: Base-Base interactions energy: -1748.360 where: short stacking energy: -757.217 Base-Backbone interact. energy: -2.486 local terms energy: -752.567288 where: bonds (distance) C4'-P energy: -147.964 bonds (distance) P-C4' energy: -145.691 flat angles C4'-P-C4' energy: -163.364 flat angles P-C4'-P energy: -96.829 tors. eta vs tors. theta energy: -198.719 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: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2515.878258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.878258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.878258 (E_RNA) where: Base-Base interactions energy: -1748.902 where: short stacking energy: -759.141 Base-Backbone interact. energy: -0.618 local terms energy: -766.357512 where: bonds (distance) C4'-P energy: -140.789 bonds (distance) P-C4' energy: -150.230 flat angles C4'-P-C4' energy: -171.935 flat angles P-C4'-P energy: -106.228 tors. eta vs tors. theta energy: -197.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2298.281531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.281531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.281531 (E_RNA) where: Base-Base interactions energy: -1590.719 where: short stacking energy: -686.928 Base-Backbone interact. energy: -3.469 local terms energy: -704.093124 where: bonds (distance) C4'-P energy: -130.323 bonds (distance) P-C4' energy: -138.252 flat angles C4'-P-C4' energy: -163.981 flat angles P-C4'-P energy: -100.461 tors. eta vs tors. theta energy: -171.076 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: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -2024.266648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.266648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.266648 (E_RNA) where: Base-Base interactions energy: -1346.191 where: short stacking energy: -585.042 Base-Backbone interact. energy: -1.444 local terms energy: -676.631150 where: bonds (distance) C4'-P energy: -128.974 bonds (distance) P-C4' energy: -150.192 flat angles C4'-P-C4' energy: -158.086 flat angles P-C4'-P energy: -105.389 tors. eta vs tors. theta energy: -133.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1874.905899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.905899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.905899 (E_RNA) where: Base-Base interactions energy: -1277.077 where: short stacking energy: -550.371 Base-Backbone interact. energy: -4.590 local terms energy: -593.239161 where: bonds (distance) C4'-P energy: -127.284 bonds (distance) P-C4' energy: -118.170 flat angles C4'-P-C4' energy: -120.642 flat angles P-C4'-P energy: -95.127 tors. eta vs tors. theta energy: -132.016 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: 9, replica: 6 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1445.749225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.749225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.749225 (E_RNA) where: Base-Base interactions energy: -863.512 where: short stacking energy: -423.545 Base-Backbone interact. energy: -0.129 local terms energy: -582.108085 where: bonds (distance) C4'-P energy: -144.385 bonds (distance) P-C4' energy: -134.544 flat angles C4'-P-C4' energy: -144.609 flat angles P-C4'-P energy: -78.805 tors. eta vs tors. theta energy: -79.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -1313.411493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.411493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.411493 (E_RNA) where: Base-Base interactions energy: -836.979 where: short stacking energy: -405.679 Base-Backbone interact. energy: -0.550 local terms energy: -475.882210 where: bonds (distance) C4'-P energy: -109.757 bonds (distance) P-C4' energy: -111.989 flat angles C4'-P-C4' energy: -104.048 flat angles P-C4'-P energy: -75.245 tors. eta vs tors. theta energy: -74.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2873.000364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.000364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.000364 (E_RNA) where: Base-Base interactions energy: -2008.843 where: short stacking energy: -852.425 Base-Backbone interact. energy: -6.541 local terms energy: -857.616070 where: bonds (distance) C4'-P energy: -141.371 bonds (distance) P-C4' energy: -179.742 flat angles C4'-P-C4' energy: -186.220 flat angles P-C4'-P energy: -125.308 tors. eta vs tors. theta energy: -224.975 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: 108 Temperature: 0.950000 Total energy: -2731.543389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.543389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.543389 (E_RNA) where: Base-Base interactions energy: -1927.870 where: short stacking energy: -813.811 Base-Backbone interact. energy: -7.031 local terms energy: -796.642256 where: bonds (distance) C4'-P energy: -147.526 bonds (distance) P-C4' energy: -164.732 flat angles C4'-P-C4' energy: -168.217 flat angles P-C4'-P energy: -111.048 tors. eta vs tors. theta energy: -205.119 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: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2583.870385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.870385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.870385 (E_RNA) where: Base-Base interactions energy: -1764.514 where: short stacking energy: -755.757 Base-Backbone interact. energy: -1.748 local terms energy: -817.608336 where: bonds (distance) C4'-P energy: -140.197 bonds (distance) P-C4' energy: -169.890 flat angles C4'-P-C4' energy: -170.091 flat angles P-C4'-P energy: -126.448 tors. eta vs tors. theta energy: -210.982 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: 10 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2511.049014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.049014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.049014 (E_RNA) where: Base-Base interactions energy: -1746.536 where: short stacking energy: -754.875 Base-Backbone interact. energy: -5.281 local terms energy: -759.231882 where: bonds (distance) C4'-P energy: -151.953 bonds (distance) P-C4' energy: -149.381 flat angles C4'-P-C4' energy: -176.803 flat angles P-C4'-P energy: -91.743 tors. eta vs tors. theta energy: -189.352 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: 5, replica: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2494.322331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.322331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.322331 (E_RNA) where: Base-Base interactions energy: -1760.937 where: short stacking energy: -726.012 Base-Backbone interact. energy: 3.096 local terms energy: -736.481056 where: bonds (distance) C4'-P energy: -126.347 bonds (distance) P-C4' energy: -147.924 flat angles C4'-P-C4' energy: -166.914 flat angles P-C4'-P energy: -106.832 tors. eta vs tors. theta energy: -188.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2262.943310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.943310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.943310 (E_RNA) where: Base-Base interactions energy: -1542.343 where: short stacking energy: -696.618 Base-Backbone interact. energy: -2.679 local terms energy: -717.921613 where: bonds (distance) C4'-P energy: -146.634 bonds (distance) P-C4' energy: -146.332 flat angles C4'-P-C4' energy: -158.635 flat angles P-C4'-P energy: -93.495 tors. eta vs tors. theta energy: -172.826 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: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1957.970014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.970014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.970014 (E_RNA) where: Base-Base interactions energy: -1322.498 where: short stacking energy: -597.469 Base-Backbone interact. energy: 0.865 local terms energy: -636.337145 where: bonds (distance) C4'-P energy: -146.958 bonds (distance) P-C4' energy: -120.747 flat angles C4'-P-C4' energy: -149.195 flat angles P-C4'-P energy: -86.818 tors. eta vs tors. theta energy: -132.619 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: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1826.499848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.499848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.499848 (E_RNA) where: Base-Base interactions energy: -1241.506 where: short stacking energy: -553.431 Base-Backbone interact. energy: 1.163 local terms energy: -586.156564 where: bonds (distance) C4'-P energy: -127.793 bonds (distance) P-C4' energy: -124.127 flat angles C4'-P-C4' energy: -141.572 flat angles P-C4'-P energy: -80.377 tors. eta vs tors. theta energy: -112.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1462.833940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.833940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.833940 (E_RNA) where: Base-Base interactions energy: -939.492 where: short stacking energy: -453.953 Base-Backbone interact. energy: -1.420 local terms energy: -521.921430 where: bonds (distance) C4'-P energy: -117.689 bonds (distance) P-C4' energy: -133.189 flat angles C4'-P-C4' energy: -134.855 flat angles P-C4'-P energy: -62.890 tors. eta vs tors. theta energy: -73.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1232.880965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.880965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.880965 (E_RNA) where: Base-Base interactions energy: -735.985 where: short stacking energy: -357.911 Base-Backbone interact. energy: 3.958 local terms energy: -500.854085 where: bonds (distance) C4'-P energy: -144.193 bonds (distance) P-C4' energy: -130.755 flat angles C4'-P-C4' energy: -119.961 flat angles P-C4'-P energy: -71.656 tors. eta vs tors. theta energy: -34.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2868.060832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.060832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.060832 (E_RNA) where: Base-Base interactions energy: -2009.342 where: short stacking energy: -876.498 Base-Backbone interact. energy: -1.782 local terms energy: -856.937544 where: bonds (distance) C4'-P energy: -163.314 bonds (distance) P-C4' energy: -135.180 flat angles C4'-P-C4' energy: -188.741 flat angles P-C4'-P energy: -134.075 tors. eta vs tors. theta energy: -235.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2736.680593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.680593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.680593 (E_RNA) where: Base-Base interactions energy: -1922.777 where: short stacking energy: -837.655 Base-Backbone interact. energy: -6.031 local terms energy: -807.872347 where: bonds (distance) C4'-P energy: -146.949 bonds (distance) P-C4' energy: -158.077 flat angles C4'-P-C4' energy: -179.440 flat angles P-C4'-P energy: -112.337 tors. eta vs tors. theta energy: -211.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2580.409560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.409560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.409560 (E_RNA) where: Base-Base interactions energy: -1785.459 where: short stacking energy: -786.659 Base-Backbone interact. energy: 0.523 local terms energy: -795.473699 where: bonds (distance) C4'-P energy: -151.605 bonds (distance) P-C4' energy: -156.330 flat angles C4'-P-C4' energy: -169.948 flat angles P-C4'-P energy: -111.434 tors. eta vs tors. theta energy: -206.157 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: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2462.979642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.979642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.979642 (E_RNA) where: Base-Base interactions energy: -1718.458 where: short stacking energy: -746.190 Base-Backbone interact. energy: -3.702 local terms energy: -740.819824 where: bonds (distance) C4'-P energy: -124.968 bonds (distance) P-C4' energy: -140.238 flat angles C4'-P-C4' energy: -171.926 flat angles P-C4'-P energy: -111.476 tors. eta vs tors. theta energy: -192.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2556.454673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.454673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.454673 (E_RNA) where: Base-Base interactions energy: -1795.541 where: short stacking energy: -744.799 Base-Backbone interact. energy: -1.192 local terms energy: -759.721731 where: bonds (distance) C4'-P energy: -144.372 bonds (distance) P-C4' energy: -150.687 flat angles C4'-P-C4' energy: -170.605 flat angles P-C4'-P energy: -96.655 tors. eta vs tors. theta energy: -197.402 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: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2315.633092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.633092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.633092 (E_RNA) where: Base-Base interactions energy: -1578.855 where: short stacking energy: -685.604 Base-Backbone interact. energy: -2.382 local terms energy: -734.396247 where: bonds (distance) C4'-P energy: -149.635 bonds (distance) P-C4' energy: -135.579 flat angles C4'-P-C4' energy: -169.108 flat angles P-C4'-P energy: -108.677 tors. eta vs tors. theta energy: -171.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1988.667395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.667395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.667395 (E_RNA) where: Base-Base interactions energy: -1334.489 where: short stacking energy: -624.453 Base-Backbone interact. energy: 0.046 local terms energy: -654.225115 where: bonds (distance) C4'-P energy: -122.433 bonds (distance) P-C4' energy: -130.949 flat angles C4'-P-C4' energy: -155.158 flat angles P-C4'-P energy: -104.611 tors. eta vs tors. theta energy: -141.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1845.099999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.099999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.099999 (E_RNA) where: Base-Base interactions energy: -1278.940 where: short stacking energy: -560.746 Base-Backbone interact. energy: -1.557 local terms energy: -564.602323 where: bonds (distance) C4'-P energy: -115.457 bonds (distance) P-C4' energy: -101.894 flat angles C4'-P-C4' energy: -135.695 flat angles P-C4'-P energy: -96.745 tors. eta vs tors. theta energy: -114.812 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: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1500.963076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.963076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.963076 (E_RNA) where: Base-Base interactions energy: -976.854 where: short stacking energy: -448.444 Base-Backbone interact. energy: -3.840 local terms energy: -520.269205 where: bonds (distance) C4'-P energy: -106.873 bonds (distance) P-C4' energy: -154.040 flat angles C4'-P-C4' energy: -126.085 flat angles P-C4'-P energy: -56.961 tors. eta vs tors. theta energy: -76.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1202.117534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.117534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.117534 (E_RNA) where: Base-Base interactions energy: -741.083 where: short stacking energy: -350.116 Base-Backbone interact. energy: 4.041 local terms energy: -465.075090 where: bonds (distance) C4'-P energy: -126.098 bonds (distance) P-C4' energy: -111.182 flat angles C4'-P-C4' energy: -122.688 flat angles P-C4'-P energy: -65.194 tors. eta vs tors. theta energy: -39.913 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: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2864.707246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.707246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.707246 (E_RNA) where: Base-Base interactions energy: -2009.879 where: short stacking energy: -872.819 Base-Backbone interact. energy: -3.771 local terms energy: -851.057105 where: bonds (distance) C4'-P energy: -155.302 bonds (distance) P-C4' energy: -167.066 flat angles C4'-P-C4' energy: -186.903 flat angles P-C4'-P energy: -114.995 tors. eta vs tors. theta energy: -226.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2765.302786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.302786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.302786 (E_RNA) where: Base-Base interactions energy: -1937.175 where: short stacking energy: -829.133 Base-Backbone interact. energy: -2.429 local terms energy: -825.699191 where: bonds (distance) C4'-P energy: -154.052 bonds (distance) P-C4' energy: -162.857 flat angles C4'-P-C4' energy: -179.391 flat angles P-C4'-P energy: -124.715 tors. eta vs tors. theta energy: -204.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2604.449547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.449547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.449547 (E_RNA) where: Base-Base interactions energy: -1797.004 where: short stacking energy: -797.823 Base-Backbone interact. energy: -0.300 local terms energy: -807.145133 where: bonds (distance) C4'-P energy: -141.951 bonds (distance) P-C4' energy: -157.914 flat angles C4'-P-C4' energy: -171.316 flat angles P-C4'-P energy: -112.104 tors. eta vs tors. theta energy: -223.859 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: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2501.560998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.560998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.560998 (E_RNA) where: Base-Base interactions energy: -1732.457 where: short stacking energy: -747.889 Base-Backbone interact. energy: -2.988 local terms energy: -766.115714 where: bonds (distance) C4'-P energy: -155.177 bonds (distance) P-C4' energy: -156.776 flat angles C4'-P-C4' energy: -169.270 flat angles P-C4'-P energy: -102.755 tors. eta vs tors. theta energy: -182.137 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: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2527.604027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.604027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.604027 (E_RNA) where: Base-Base interactions energy: -1805.475 where: short stacking energy: -765.062 Base-Backbone interact. energy: -1.004 local terms energy: -721.124704 where: bonds (distance) C4'-P energy: -127.903 bonds (distance) P-C4' energy: -145.135 flat angles C4'-P-C4' energy: -161.151 flat angles P-C4'-P energy: -91.682 tors. eta vs tors. theta energy: -195.254 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: 9 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2259.740009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.740009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.740009 (E_RNA) where: Base-Base interactions energy: -1576.237 where: short stacking energy: -681.263 Base-Backbone interact. energy: -4.313 local terms energy: -679.190012 where: bonds (distance) C4'-P energy: -131.851 bonds (distance) P-C4' energy: -123.874 flat angles C4'-P-C4' energy: -132.583 flat angles P-C4'-P energy: -119.725 tors. eta vs tors. theta energy: -171.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -2036.738904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.738904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.738904 (E_RNA) where: Base-Base interactions energy: -1381.377 where: short stacking energy: -629.863 Base-Backbone interact. energy: 4.707 local terms energy: -660.068606 where: bonds (distance) C4'-P energy: -124.589 bonds (distance) P-C4' energy: -153.115 flat angles C4'-P-C4' energy: -149.956 flat angles P-C4'-P energy: -70.612 tors. eta vs tors. theta energy: -161.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1748.995088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.995088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.995088 (E_RNA) where: Base-Base interactions energy: -1172.716 where: short stacking energy: -529.097 Base-Backbone interact. energy: 0.166 local terms energy: -576.444781 where: bonds (distance) C4'-P energy: -150.270 bonds (distance) P-C4' energy: -126.311 flat angles C4'-P-C4' energy: -132.728 flat angles P-C4'-P energy: -71.120 tors. eta vs tors. theta energy: -96.016 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: 9, replica: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1484.492319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.492319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.492319 (E_RNA) where: Base-Base interactions energy: -908.216 where: short stacking energy: -426.852 Base-Backbone interact. energy: 6.084 local terms energy: -582.360810 where: bonds (distance) C4'-P energy: -130.178 bonds (distance) P-C4' energy: -148.020 flat angles C4'-P-C4' energy: -142.502 flat angles P-C4'-P energy: -76.134 tors. eta vs tors. theta energy: -85.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -1194.824281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.824281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.824281 (E_RNA) where: Base-Base interactions energy: -771.519 where: short stacking energy: -381.518 Base-Backbone interact. energy: 4.413 local terms energy: -427.717730 where: bonds (distance) C4'-P energy: -87.771 bonds (distance) P-C4' energy: -122.314 flat angles C4'-P-C4' energy: -125.323 flat angles P-C4'-P energy: -59.239 tors. eta vs tors. theta energy: -33.071 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: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2881.518193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.518193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.518193 (E_RNA) where: Base-Base interactions energy: -1995.312 where: short stacking energy: -863.254 Base-Backbone interact. energy: -2.074 local terms energy: -884.132143 where: bonds (distance) C4'-P energy: -166.559 bonds (distance) P-C4' energy: -163.349 flat angles C4'-P-C4' energy: -188.732 flat angles P-C4'-P energy: -130.383 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: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2745.194013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.194013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.194013 (E_RNA) where: Base-Base interactions energy: -1943.525 where: short stacking energy: -815.267 Base-Backbone interact. energy: -2.663 local terms energy: -799.006476 where: bonds (distance) C4'-P energy: -150.010 bonds (distance) P-C4' energy: -152.935 flat angles C4'-P-C4' energy: -178.443 flat angles P-C4'-P energy: -114.061 tors. eta vs tors. theta energy: -203.557 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: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2584.908806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.908806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.908806 (E_RNA) where: Base-Base interactions energy: -1809.187 where: short stacking energy: -773.145 Base-Backbone interact. energy: -0.376 local terms energy: -775.345875 where: bonds (distance) C4'-P energy: -149.936 bonds (distance) P-C4' energy: -149.996 flat angles C4'-P-C4' energy: -168.047 flat angles P-C4'-P energy: -100.270 tors. eta vs tors. theta energy: -207.098 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: 4, replica: 8 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2602.455086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.455086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.455086 (E_RNA) where: Base-Base interactions energy: -1843.464 where: short stacking energy: -766.969 Base-Backbone interact. energy: -2.988 local terms energy: -756.002938 where: bonds (distance) C4'-P energy: -136.722 bonds (distance) P-C4' energy: -161.797 flat angles C4'-P-C4' energy: -148.415 flat angles P-C4'-P energy: -107.601 tors. eta vs tors. theta energy: -201.468 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: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2427.722354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.722354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.722354 (E_RNA) where: Base-Base interactions energy: -1665.147 where: short stacking energy: -746.833 Base-Backbone interact. energy: -0.339 local terms energy: -762.236519 where: bonds (distance) C4'-P energy: -142.084 bonds (distance) P-C4' energy: -148.137 flat angles C4'-P-C4' energy: -161.881 flat angles P-C4'-P energy: -103.738 tors. eta vs tors. theta energy: -206.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2329.345394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.345394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.345394 (E_RNA) where: Base-Base interactions energy: -1629.559 where: short stacking energy: -699.503 Base-Backbone interact. energy: -0.583 local terms energy: -699.203509 where: bonds (distance) C4'-P energy: -126.101 bonds (distance) P-C4' energy: -136.518 flat angles C4'-P-C4' energy: -173.758 flat angles P-C4'-P energy: -87.570 tors. eta vs tors. theta energy: -175.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -2027.739968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.739968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.739968 (E_RNA) where: Base-Base interactions energy: -1366.567 where: short stacking energy: -626.577 Base-Backbone interact. energy: 1.781 local terms energy: -662.953201 where: bonds (distance) C4'-P energy: -137.839 bonds (distance) P-C4' energy: -133.905 flat angles C4'-P-C4' energy: -146.493 flat angles P-C4'-P energy: -91.863 tors. eta vs tors. theta energy: -152.853 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: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1805.960966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.960966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.960966 (E_RNA) where: Base-Base interactions energy: -1210.569 where: short stacking energy: -567.633 Base-Backbone interact. energy: 2.567 local terms energy: -597.958951 where: bonds (distance) C4'-P energy: -98.459 bonds (distance) P-C4' energy: -150.725 flat angles C4'-P-C4' energy: -139.772 flat angles P-C4'-P energy: -93.535 tors. eta vs tors. theta energy: -115.467 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: 9, replica: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1491.386705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.386705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.386705 (E_RNA) where: Base-Base interactions energy: -957.304 where: short stacking energy: -433.976 Base-Backbone interact. energy: -0.706 local terms energy: -533.376230 where: bonds (distance) C4'-P energy: -96.928 bonds (distance) P-C4' energy: -136.611 flat angles C4'-P-C4' energy: -142.263 flat angles P-C4'-P energy: -81.103 tors. eta vs tors. theta energy: -76.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1276.218869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.218869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.218869 (E_RNA) where: Base-Base interactions energy: -783.594 where: short stacking energy: -360.364 Base-Backbone interact. energy: -1.235 local terms energy: -491.390154 where: bonds (distance) C4'-P energy: -139.355 bonds (distance) P-C4' energy: -145.509 flat angles C4'-P-C4' energy: -106.253 flat angles P-C4'-P energy: -70.271 tors. eta vs tors. theta energy: -30.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2848.117409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.117409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.117409 (E_RNA) where: Base-Base interactions energy: -2008.621 where: short stacking energy: -859.500 Base-Backbone interact. energy: -0.212 local terms energy: -839.284523 where: bonds (distance) C4'-P energy: -141.487 bonds (distance) P-C4' energy: -161.563 flat angles C4'-P-C4' energy: -179.258 flat angles P-C4'-P energy: -118.972 tors. eta vs tors. theta energy: -238.005 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: 112 Temperature: 0.950000 Total energy: -2764.525162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.525162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.525162 (E_RNA) where: Base-Base interactions energy: -1935.769 where: short stacking energy: -833.490 Base-Backbone interact. energy: -8.195 local terms energy: -820.561456 where: bonds (distance) C4'-P energy: -157.694 bonds (distance) P-C4' energy: -158.182 flat angles C4'-P-C4' energy: -173.868 flat angles P-C4'-P energy: -110.317 tors. eta vs tors. theta energy: -220.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2607.144775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.144775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.144775 (E_RNA) where: Base-Base interactions energy: -1789.583 where: short stacking energy: -793.641 Base-Backbone interact. energy: -1.619 local terms energy: -815.943648 where: bonds (distance) C4'-P energy: -140.148 bonds (distance) P-C4' energy: -160.428 flat angles C4'-P-C4' energy: -181.159 flat angles P-C4'-P energy: -123.294 tors. eta vs tors. theta energy: -210.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2608.939731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.939731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.939731 (E_RNA) where: Base-Base interactions energy: -1867.686 where: short stacking energy: -783.595 Base-Backbone interact. energy: -1.365 local terms energy: -739.889192 where: bonds (distance) C4'-P energy: -147.775 bonds (distance) P-C4' energy: -139.123 flat angles C4'-P-C4' energy: -161.466 flat angles P-C4'-P energy: -95.443 tors. eta vs tors. theta energy: -196.082 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: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2449.026293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.026293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.026293 (E_RNA) where: Base-Base interactions energy: -1696.059 where: short stacking energy: -730.059 Base-Backbone interact. energy: 1.861 local terms energy: -754.828151 where: bonds (distance) C4'-P energy: -142.361 bonds (distance) P-C4' energy: -147.227 flat angles C4'-P-C4' energy: -162.128 flat angles P-C4'-P energy: -104.592 tors. eta vs tors. theta energy: -198.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2317.318878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.318878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.318878 (E_RNA) where: Base-Base interactions energy: -1603.750 where: short stacking energy: -689.818 Base-Backbone interact. energy: 1.475 local terms energy: -715.044177 where: bonds (distance) C4'-P energy: -135.964 bonds (distance) P-C4' energy: -164.040 flat angles C4'-P-C4' energy: -138.256 flat angles P-C4'-P energy: -107.286 tors. eta vs tors. theta energy: -169.499 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: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -2093.002613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.002613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.002613 (E_RNA) where: Base-Base interactions energy: -1394.636 where: short stacking energy: -629.856 Base-Backbone interact. energy: -4.757 local terms energy: -693.609844 where: bonds (distance) C4'-P energy: -132.698 bonds (distance) P-C4' energy: -136.164 flat angles C4'-P-C4' energy: -173.500 flat angles P-C4'-P energy: -86.045 tors. eta vs tors. theta energy: -165.204 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: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1857.437676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.437676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.437676 (E_RNA) where: Base-Base interactions energy: -1246.923 where: short stacking energy: -547.966 Base-Backbone interact. energy: -3.001 local terms energy: -607.512844 where: bonds (distance) C4'-P energy: -136.624 bonds (distance) P-C4' energy: -123.472 flat angles C4'-P-C4' energy: -142.699 flat angles P-C4'-P energy: -97.490 tors. eta vs tors. theta energy: -107.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1485.768412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.768412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.768412 (E_RNA) where: Base-Base interactions energy: -944.928 where: short stacking energy: -443.707 Base-Backbone interact. energy: -0.282 local terms energy: -540.558111 where: bonds (distance) C4'-P energy: -131.960 bonds (distance) P-C4' energy: -143.724 flat angles C4'-P-C4' energy: -129.197 flat angles P-C4'-P energy: -75.401 tors. eta vs tors. theta energy: -60.277 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: 5 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1259.761698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.761698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.761698 (E_RNA) where: Base-Base interactions energy: -769.004 where: short stacking energy: -354.272 Base-Backbone interact. energy: -3.490 local terms energy: -487.268106 where: bonds (distance) C4'-P energy: -138.038 bonds (distance) P-C4' energy: -125.341 flat angles C4'-P-C4' energy: -122.765 flat angles P-C4'-P energy: -63.398 tors. eta vs tors. theta energy: -37.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2857.640330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.640330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.640330 (E_RNA) where: Base-Base interactions energy: -1992.970 where: short stacking energy: -863.126 Base-Backbone interact. energy: -2.566 local terms energy: -862.104511 where: bonds (distance) C4'-P energy: -157.891 bonds (distance) P-C4' energy: -155.983 flat angles C4'-P-C4' energy: -182.241 flat angles P-C4'-P energy: -127.734 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: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2755.469720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.469720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.469720 (E_RNA) where: Base-Base interactions energy: -1931.333 where: short stacking energy: -806.699 Base-Backbone interact. energy: -2.971 local terms energy: -821.165420 where: bonds (distance) C4'-P energy: -159.592 bonds (distance) P-C4' energy: -160.065 flat angles C4'-P-C4' energy: -170.380 flat angles P-C4'-P energy: -115.112 tors. eta vs tors. theta energy: -216.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2578.935290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.935290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.935290 (E_RNA) where: Base-Base interactions energy: -1814.563 where: short stacking energy: -769.483 Base-Backbone interact. energy: 1.456 local terms energy: -765.827849 where: bonds (distance) C4'-P energy: -162.822 bonds (distance) P-C4' energy: -159.514 flat angles C4'-P-C4' energy: -156.620 flat angles P-C4'-P energy: -81.089 tors. eta vs tors. theta energy: -205.783 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: 4, replica: 8 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2612.657390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.657390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.657390 (E_RNA) where: Base-Base interactions energy: -1870.107 where: short stacking energy: -800.682 Base-Backbone interact. energy: -1.108 local terms energy: -741.442693 where: bonds (distance) C4'-P energy: -133.365 bonds (distance) P-C4' energy: -146.822 flat angles C4'-P-C4' energy: -155.083 flat angles P-C4'-P energy: -99.321 tors. eta vs tors. theta energy: -206.851 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: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2423.566153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.566153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.566153 (E_RNA) where: Base-Base interactions energy: -1732.671 where: short stacking energy: -742.778 Base-Backbone interact. energy: -0.042 local terms energy: -690.853384 where: bonds (distance) C4'-P energy: -138.499 bonds (distance) P-C4' energy: -126.282 flat angles C4'-P-C4' energy: -165.552 flat angles P-C4'-P energy: -100.090 tors. eta vs tors. theta energy: -160.430 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: 6, replica: 9 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2319.301523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.301523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.301523 (E_RNA) where: Base-Base interactions energy: -1631.639 where: short stacking energy: -687.622 Base-Backbone interact. energy: -0.068 local terms energy: -687.594422 where: bonds (distance) C4'-P energy: -139.637 bonds (distance) P-C4' energy: -138.850 flat angles C4'-P-C4' energy: -147.812 flat angles P-C4'-P energy: -94.022 tors. eta vs tors. theta energy: -167.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1963.130934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.130934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.130934 (E_RNA) where: Base-Base interactions energy: -1324.003 where: short stacking energy: -567.443 Base-Backbone interact. energy: -5.684 local terms energy: -633.444158 where: bonds (distance) C4'-P energy: -121.726 bonds (distance) P-C4' energy: -133.815 flat angles C4'-P-C4' energy: -158.004 flat angles P-C4'-P energy: -88.130 tors. eta vs tors. theta energy: -131.769 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: 8, replica: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1840.853672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.853672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.853672 (E_RNA) where: Base-Base interactions energy: -1266.857 where: short stacking energy: -563.136 Base-Backbone interact. energy: 1.186 local terms energy: -575.183214 where: bonds (distance) C4'-P energy: -134.101 bonds (distance) P-C4' energy: -131.733 flat angles C4'-P-C4' energy: -128.053 flat angles P-C4'-P energy: -83.557 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: 9, replica: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1496.296144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.296144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.296144 (E_RNA) where: Base-Base interactions energy: -946.600 where: short stacking energy: -457.664 Base-Backbone interact. energy: -2.634 local terms energy: -547.062433 where: bonds (distance) C4'-P energy: -112.939 bonds (distance) P-C4' energy: -136.961 flat angles C4'-P-C4' energy: -135.124 flat angles P-C4'-P energy: -70.329 tors. eta vs tors. theta energy: -91.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1285.270276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.270276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.270276 (E_RNA) where: Base-Base interactions energy: -826.745 where: short stacking energy: -375.447 Base-Backbone interact. energy: -2.484 local terms energy: -456.041343 where: bonds (distance) C4'-P energy: -117.245 bonds (distance) P-C4' energy: -110.916 flat angles C4'-P-C4' energy: -116.714 flat angles P-C4'-P energy: -76.773 tors. eta vs tors. theta energy: -34.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2872.670571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.670571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.670571 (E_RNA) where: Base-Base interactions energy: -2026.305 where: short stacking energy: -868.738 Base-Backbone interact. energy: -2.303 local terms energy: -844.061814 where: bonds (distance) C4'-P energy: -150.971 bonds (distance) P-C4' energy: -156.004 flat angles C4'-P-C4' energy: -179.530 flat angles P-C4'-P energy: -123.655 tors. eta vs tors. theta energy: -233.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2771.817681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.817681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.817681 (E_RNA) where: Base-Base interactions energy: -1965.882 where: short stacking energy: -801.802 Base-Backbone interact. energy: -0.943 local terms energy: -804.992791 where: bonds (distance) C4'-P energy: -139.405 bonds (distance) P-C4' energy: -166.513 flat angles C4'-P-C4' energy: -173.554 flat angles P-C4'-P energy: -123.028 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: 3, replica: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2736.326006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.326006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.326006 (E_RNA) where: Base-Base interactions energy: -1942.590 where: short stacking energy: -802.422 Base-Backbone interact. energy: -4.319 local terms energy: -789.416707 where: bonds (distance) C4'-P energy: -141.237 bonds (distance) P-C4' energy: -165.932 flat angles C4'-P-C4' energy: -173.209 flat angles P-C4'-P energy: -115.940 tors. eta vs tors. theta energy: -193.098 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: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2536.251086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.251086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.251086 (E_RNA) where: Base-Base interactions energy: -1777.570 where: short stacking energy: -788.558 Base-Backbone interact. energy: -3.562 local terms energy: -755.118851 where: bonds (distance) C4'-P energy: -130.629 bonds (distance) P-C4' energy: -149.650 flat angles C4'-P-C4' energy: -169.475 flat angles P-C4'-P energy: -108.507 tors. eta vs tors. theta energy: -196.858 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: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2453.809857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.809857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.809857 (E_RNA) where: Base-Base interactions energy: -1720.091 where: short stacking energy: -754.843 Base-Backbone interact. energy: 0.164 local terms energy: -733.882539 where: bonds (distance) C4'-P energy: -132.187 bonds (distance) P-C4' energy: -137.315 flat angles C4'-P-C4' energy: -172.402 flat angles P-C4'-P energy: -94.675 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: 9 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2327.259726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.259726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.259726 (E_RNA) where: Base-Base interactions energy: -1589.608 where: short stacking energy: -708.009 Base-Backbone interact. energy: -2.904 local terms energy: -734.748360 where: bonds (distance) C4'-P energy: -137.989 bonds (distance) P-C4' energy: -152.253 flat angles C4'-P-C4' energy: -166.114 flat angles P-C4'-P energy: -103.959 tors. eta vs tors. theta energy: -174.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -2002.740023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.740023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.740023 (E_RNA) where: Base-Base interactions energy: -1349.265 where: short stacking energy: -592.415 Base-Backbone interact. energy: -0.867 local terms energy: -652.607941 where: bonds (distance) C4'-P energy: -119.156 bonds (distance) P-C4' energy: -130.689 flat angles C4'-P-C4' energy: -151.251 flat angles P-C4'-P energy: -106.704 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: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1774.384660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.384660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.384660 (E_RNA) where: Base-Base interactions energy: -1154.400 where: short stacking energy: -513.768 Base-Backbone interact. energy: 4.373 local terms energy: -624.357420 where: bonds (distance) C4'-P energy: -126.621 bonds (distance) P-C4' energy: -156.535 flat angles C4'-P-C4' energy: -131.767 flat angles P-C4'-P energy: -92.136 tors. eta vs tors. theta energy: -117.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1542.861484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.861484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.861484 (E_RNA) where: Base-Base interactions energy: -1011.092 where: short stacking energy: -462.546 Base-Backbone interact. energy: 1.449 local terms energy: -533.218384 where: bonds (distance) C4'-P energy: -131.940 bonds (distance) P-C4' energy: -116.637 flat angles C4'-P-C4' energy: -116.737 flat angles P-C4'-P energy: -84.411 tors. eta vs tors. theta energy: -83.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -1201.462355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.462355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.462355 (E_RNA) where: Base-Base interactions energy: -737.208 where: short stacking energy: -368.509 Base-Backbone interact. energy: 1.237 local terms energy: -465.490925 where: bonds (distance) C4'-P energy: -107.321 bonds (distance) P-C4' energy: -126.319 flat angles C4'-P-C4' energy: -131.459 flat angles P-C4'-P energy: -57.747 tors. eta vs tors. theta energy: -42.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2883.896336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.896336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.896336 (E_RNA) where: Base-Base interactions energy: -2023.096 where: short stacking energy: -864.679 Base-Backbone interact. energy: -4.277 local terms energy: -856.522704 where: bonds (distance) C4'-P energy: -153.189 bonds (distance) P-C4' energy: -161.028 flat angles C4'-P-C4' energy: -184.930 flat angles P-C4'-P energy: -129.770 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: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2777.003850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.003850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.003850 (E_RNA) where: Base-Base interactions energy: -1973.140 where: short stacking energy: -806.505 Base-Backbone interact. energy: -3.784 local terms energy: -800.080673 where: bonds (distance) C4'-P energy: -156.702 bonds (distance) P-C4' energy: -159.616 flat angles C4'-P-C4' energy: -175.206 flat angles P-C4'-P energy: -107.926 tors. eta vs tors. theta energy: -200.630 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: 3, replica: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2719.020476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.020476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.020476 (E_RNA) where: Base-Base interactions energy: -1948.689 where: short stacking energy: -835.115 Base-Backbone interact. energy: 4.374 local terms energy: -774.706366 where: bonds (distance) C4'-P energy: -131.263 bonds (distance) P-C4' energy: -152.527 flat angles C4'-P-C4' energy: -173.933 flat angles P-C4'-P energy: -105.482 tors. eta vs tors. theta energy: -211.502 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: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2539.540817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.540817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.540817 (E_RNA) where: Base-Base interactions energy: -1766.573 where: short stacking energy: -777.868 Base-Backbone interact. energy: -3.324 local terms energy: -769.644733 where: bonds (distance) C4'-P energy: -136.416 bonds (distance) P-C4' energy: -145.085 flat angles C4'-P-C4' energy: -167.808 flat angles P-C4'-P energy: -121.823 tors. eta vs tors. theta energy: -198.514 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: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2449.896190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.896190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.896190 (E_RNA) where: Base-Base interactions energy: -1718.352 where: short stacking energy: -742.865 Base-Backbone interact. energy: -1.913 local terms energy: -729.631037 where: bonds (distance) C4'-P energy: -127.733 bonds (distance) P-C4' energy: -148.797 flat angles C4'-P-C4' energy: -164.575 flat angles P-C4'-P energy: -99.112 tors. eta vs tors. theta energy: -189.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2342.344674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.344674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.344674 (E_RNA) where: Base-Base interactions energy: -1631.784 where: short stacking energy: -723.839 Base-Backbone interact. energy: 0.100 local terms energy: -710.661407 where: bonds (distance) C4'-P energy: -123.500 bonds (distance) P-C4' energy: -139.403 flat angles C4'-P-C4' energy: -161.656 flat angles P-C4'-P energy: -90.574 tors. eta vs tors. theta energy: -195.528 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: 115 Temperature: 1.200000 Total energy: -2049.227115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.227115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.227115 (E_RNA) where: Base-Base interactions energy: -1392.530 where: short stacking energy: -594.660 Base-Backbone interact. energy: -0.711 local terms energy: -655.986561 where: bonds (distance) C4'-P energy: -139.801 bonds (distance) P-C4' energy: -127.932 flat angles C4'-P-C4' energy: -153.169 flat angles P-C4'-P energy: -96.549 tors. eta vs tors. theta energy: -138.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1799.516686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.516686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.516686 (E_RNA) where: Base-Base interactions energy: -1201.669 where: short stacking energy: -543.350 Base-Backbone interact. energy: -1.360 local terms energy: -596.487641 where: bonds (distance) C4'-P energy: -125.492 bonds (distance) P-C4' energy: -133.494 flat angles C4'-P-C4' energy: -129.745 flat angles P-C4'-P energy: -92.166 tors. eta vs tors. theta energy: -115.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1597.250851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.250851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.250851 (E_RNA) where: Base-Base interactions energy: -1060.880 where: short stacking energy: -492.339 Base-Backbone interact. energy: 1.993 local terms energy: -538.364737 where: bonds (distance) C4'-P energy: -137.188 bonds (distance) P-C4' energy: -121.700 flat angles C4'-P-C4' energy: -113.429 flat angles P-C4'-P energy: -70.650 tors. eta vs tors. theta energy: -95.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -1186.942803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.942803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.942803 (E_RNA) where: Base-Base interactions energy: -712.043 where: short stacking energy: -353.351 Base-Backbone interact. energy: 6.460 local terms energy: -481.360579 where: bonds (distance) C4'-P energy: -125.020 bonds (distance) P-C4' energy: -142.989 flat angles C4'-P-C4' energy: -113.554 flat angles P-C4'-P energy: -75.960 tors. eta vs tors. theta energy: -23.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2860.596791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.596791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.596791 (E_RNA) where: Base-Base interactions energy: -2018.154 where: short stacking energy: -837.361 Base-Backbone interact. energy: -3.837 local terms energy: -838.605761 where: bonds (distance) C4'-P energy: -150.696 bonds (distance) P-C4' energy: -173.165 flat angles C4'-P-C4' energy: -164.497 flat angles P-C4'-P energy: -131.055 tors. eta vs tors. theta energy: -219.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2792.323863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.323863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.323863 (E_RNA) where: Base-Base interactions energy: -2009.323 where: short stacking energy: -829.706 Base-Backbone interact. energy: 2.103 local terms energy: -785.104203 where: bonds (distance) C4'-P energy: -143.143 bonds (distance) P-C4' energy: -159.761 flat angles C4'-P-C4' energy: -182.014 flat angles P-C4'-P energy: -95.460 tors. eta vs tors. theta energy: -204.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2711.210485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.210485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.210485 (E_RNA) where: Base-Base interactions energy: -1914.321 where: short stacking energy: -840.188 Base-Backbone interact. energy: -0.981 local terms energy: -795.907865 where: bonds (distance) C4'-P energy: -137.324 bonds (distance) P-C4' energy: -158.910 flat angles C4'-P-C4' energy: -178.927 flat angles P-C4'-P energy: -108.244 tors. eta vs tors. theta energy: -212.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2561.622836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.622836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.622836 (E_RNA) where: Base-Base interactions energy: -1785.801 where: short stacking energy: -778.628 Base-Backbone interact. energy: 1.725 local terms energy: -777.546909 where: bonds (distance) C4'-P energy: -143.469 bonds (distance) P-C4' energy: -147.810 flat angles C4'-P-C4' energy: -172.268 flat angles P-C4'-P energy: -110.785 tors. eta vs tors. theta energy: -203.214 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: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2493.790904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.790904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.790904 (E_RNA) where: Base-Base interactions energy: -1736.964 where: short stacking energy: -747.249 Base-Backbone interact. energy: -0.519 local terms energy: -756.308482 where: bonds (distance) C4'-P energy: -139.170 bonds (distance) P-C4' energy: -157.784 flat angles C4'-P-C4' energy: -165.038 flat angles P-C4'-P energy: -95.797 tors. eta vs tors. theta energy: -198.520 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: 116 Temperature: 1.150000 Total energy: -2269.152356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.152356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.152356 (E_RNA) where: Base-Base interactions energy: -1579.423 where: short stacking energy: -665.465 Base-Backbone interact. energy: -1.158 local terms energy: -688.571064 where: bonds (distance) C4'-P energy: -144.074 bonds (distance) P-C4' energy: -153.545 flat angles C4'-P-C4' energy: -138.419 flat angles P-C4'-P energy: -109.324 tors. eta vs tors. theta energy: -143.210 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: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2026.811053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.811053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.811053 (E_RNA) where: Base-Base interactions energy: -1378.237 where: short stacking energy: -646.770 Base-Backbone interact. energy: -2.408 local terms energy: -646.165238 where: bonds (distance) C4'-P energy: -115.542 bonds (distance) P-C4' energy: -141.333 flat angles C4'-P-C4' energy: -153.513 flat angles P-C4'-P energy: -92.675 tors. eta vs tors. theta energy: -143.103 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: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1902.650648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.650648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.650648 (E_RNA) where: Base-Base interactions energy: -1279.449 where: short stacking energy: -567.745 Base-Backbone interact. energy: -1.669 local terms energy: -621.532130 where: bonds (distance) C4'-P energy: -139.345 bonds (distance) P-C4' energy: -133.091 flat angles C4'-P-C4' energy: -140.408 flat angles P-C4'-P energy: -81.652 tors. eta vs tors. theta energy: -127.036 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: 6 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1549.373594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.373594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.373594 (E_RNA) where: Base-Base interactions energy: -977.772 where: short stacking energy: -462.025 Base-Backbone interact. energy: -1.120 local terms energy: -570.482399 where: bonds (distance) C4'-P energy: -122.194 bonds (distance) P-C4' energy: -138.047 flat angles C4'-P-C4' energy: -145.388 flat angles P-C4'-P energy: -70.685 tors. eta vs tors. theta energy: -94.169 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: 10, replica: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1190.272558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.272558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.272558 (E_RNA) where: Base-Base interactions energy: -731.242 where: short stacking energy: -357.483 Base-Backbone interact. energy: 8.672 local terms energy: -467.702787 where: bonds (distance) C4'-P energy: -110.556 bonds (distance) P-C4' energy: -117.127 flat angles C4'-P-C4' energy: -131.194 flat angles P-C4'-P energy: -80.529 tors. eta vs tors. theta energy: -28.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2854.738992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.738992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.738992 (E_RNA) where: Base-Base interactions energy: -2006.969 where: short stacking energy: -850.430 Base-Backbone interact. energy: -3.229 local terms energy: -844.540524 where: bonds (distance) C4'-P energy: -153.810 bonds (distance) P-C4' energy: -164.538 flat angles C4'-P-C4' energy: -170.720 flat angles P-C4'-P energy: -127.649 tors. eta vs tors. theta energy: -227.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2785.014568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.014568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.014568 (E_RNA) where: Base-Base interactions energy: -1955.200 where: short stacking energy: -812.514 Base-Backbone interact. energy: -3.770 local terms energy: -826.044144 where: bonds (distance) C4'-P energy: -153.658 bonds (distance) P-C4' energy: -166.292 flat angles C4'-P-C4' energy: -175.114 flat angles P-C4'-P energy: -121.498 tors. eta vs tors. theta energy: -209.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2757.980007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.980007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.980007 (E_RNA) where: Base-Base interactions energy: -1942.588 where: short stacking energy: -823.602 Base-Backbone interact. energy: -7.947 local terms energy: -807.444245 where: bonds (distance) C4'-P energy: -139.269 bonds (distance) P-C4' energy: -156.938 flat angles C4'-P-C4' energy: -165.708 flat angles P-C4'-P energy: -123.337 tors. eta vs tors. theta energy: -222.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2591.853276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.853276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.853276 (E_RNA) where: Base-Base interactions energy: -1823.850 where: short stacking energy: -759.291 Base-Backbone interact. energy: -5.074 local terms energy: -762.929967 where: bonds (distance) C4'-P energy: -143.623 bonds (distance) P-C4' energy: -148.013 flat angles C4'-P-C4' energy: -173.091 flat angles P-C4'-P energy: -109.796 tors. eta vs tors. theta energy: -188.408 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: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2507.913819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.913819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.913819 (E_RNA) where: Base-Base interactions energy: -1743.673 where: short stacking energy: -806.292 Base-Backbone interact. energy: -2.528 local terms energy: -761.713042 where: bonds (distance) C4'-P energy: -141.155 bonds (distance) P-C4' energy: -146.105 flat angles C4'-P-C4' energy: -173.253 flat angles P-C4'-P energy: -93.419 tors. eta vs tors. theta energy: -207.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2269.188818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.188818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.188818 (E_RNA) where: Base-Base interactions energy: -1593.718 where: short stacking energy: -678.840 Base-Backbone interact. energy: -3.200 local terms energy: -672.271080 where: bonds (distance) C4'-P energy: -141.180 bonds (distance) P-C4' energy: -124.580 flat angles C4'-P-C4' energy: -161.008 flat angles P-C4'-P energy: -99.663 tors. eta vs tors. theta energy: -145.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -2109.814720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.814720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.814720 (E_RNA) where: Base-Base interactions energy: -1469.742 where: short stacking energy: -635.493 Base-Backbone interact. energy: 0.547 local terms energy: -640.619824 where: bonds (distance) C4'-P energy: -114.747 bonds (distance) P-C4' energy: -130.775 flat angles C4'-P-C4' energy: -140.651 flat angles P-C4'-P energy: -90.746 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: 8, replica: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1894.280608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.280608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.280608 (E_RNA) where: Base-Base interactions energy: -1250.868 where: short stacking energy: -557.308 Base-Backbone interact. energy: -2.646 local terms energy: -640.766668 where: bonds (distance) C4'-P energy: -138.532 bonds (distance) P-C4' energy: -140.192 flat angles C4'-P-C4' energy: -159.986 flat angles P-C4'-P energy: -94.255 tors. eta vs tors. theta energy: -107.802 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: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1609.866842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.866842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.866842 (E_RNA) where: Base-Base interactions energy: -1057.726 where: short stacking energy: -456.857 Base-Backbone interact. energy: 1.507 local terms energy: -553.647964 where: bonds (distance) C4'-P energy: -119.048 bonds (distance) P-C4' energy: -128.533 flat angles C4'-P-C4' energy: -128.439 flat angles P-C4'-P energy: -83.530 tors. eta vs tors. theta energy: -94.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1130.597223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.597223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.597223 (E_RNA) where: Base-Base interactions energy: -702.901 where: short stacking energy: -381.583 Base-Backbone interact. energy: 0.359 local terms energy: -428.055345 where: bonds (distance) C4'-P energy: -117.570 bonds (distance) P-C4' energy: -107.688 flat angles C4'-P-C4' energy: -106.956 flat angles P-C4'-P energy: -53.003 tors. eta vs tors. theta energy: -42.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2904.483070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.483070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.483070 (E_RNA) where: Base-Base interactions energy: -2052.696 where: short stacking energy: -852.885 Base-Backbone interact. energy: -2.735 local terms energy: -849.052465 where: bonds (distance) C4'-P energy: -154.065 bonds (distance) P-C4' energy: -163.851 flat angles C4'-P-C4' energy: -185.427 flat angles P-C4'-P energy: -117.908 tors. eta vs tors. theta energy: -227.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2809.615006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.615006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.615006 (E_RNA) where: Base-Base interactions energy: -1995.522 where: short stacking energy: -799.780 Base-Backbone interact. energy: -5.943 local terms energy: -808.150425 where: bonds (distance) C4'-P energy: -158.459 bonds (distance) P-C4' energy: -157.849 flat angles C4'-P-C4' energy: -164.441 flat angles P-C4'-P energy: -121.103 tors. eta vs tors. theta energy: -206.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2720.958912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.958912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.958912 (E_RNA) where: Base-Base interactions energy: -1939.170 where: short stacking energy: -852.981 Base-Backbone interact. energy: 0.286 local terms energy: -782.074944 where: bonds (distance) C4'-P energy: -138.738 bonds (distance) P-C4' energy: -136.421 flat angles C4'-P-C4' energy: -173.094 flat angles P-C4'-P energy: -120.318 tors. eta vs tors. theta energy: -213.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2553.701195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.701195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.701195 (E_RNA) where: Base-Base interactions energy: -1780.568 where: short stacking energy: -774.217 Base-Backbone interact. energy: -1.653 local terms energy: -771.479970 where: bonds (distance) C4'-P energy: -151.888 bonds (distance) P-C4' energy: -146.919 flat angles C4'-P-C4' energy: -151.254 flat angles P-C4'-P energy: -115.884 tors. eta vs tors. theta energy: -205.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2538.930471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.930471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.930471 (E_RNA) where: Base-Base interactions energy: -1771.371 where: short stacking energy: -793.103 Base-Backbone interact. energy: -0.228 local terms energy: -767.331501 where: bonds (distance) C4'-P energy: -135.524 bonds (distance) P-C4' energy: -157.402 flat angles C4'-P-C4' energy: -161.719 flat angles P-C4'-P energy: -98.812 tors. eta vs tors. theta energy: -213.875 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: 118 Temperature: 1.150000 Total energy: -2313.901494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.901494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.901494 (E_RNA) where: Base-Base interactions energy: -1627.727 where: short stacking energy: -678.210 Base-Backbone interact. energy: -3.671 local terms energy: -682.503846 where: bonds (distance) C4'-P energy: -132.591 bonds (distance) P-C4' energy: -144.851 flat angles C4'-P-C4' energy: -157.501 flat angles P-C4'-P energy: -101.076 tors. eta vs tors. theta energy: -146.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -2132.940873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.940873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.940873 (E_RNA) where: Base-Base interactions energy: -1451.463 where: short stacking energy: -659.687 Base-Backbone interact. energy: -3.264 local terms energy: -678.213528 where: bonds (distance) C4'-P energy: -145.852 bonds (distance) P-C4' energy: -126.130 flat angles C4'-P-C4' energy: -146.060 flat angles P-C4'-P energy: -105.395 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: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1819.912417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.912417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.912417 (E_RNA) where: Base-Base interactions energy: -1215.083 where: short stacking energy: -551.079 Base-Backbone interact. energy: -4.011 local terms energy: -600.818039 where: bonds (distance) C4'-P energy: -155.327 bonds (distance) P-C4' energy: -123.438 flat angles C4'-P-C4' energy: -136.726 flat angles P-C4'-P energy: -75.188 tors. eta vs tors. theta energy: -110.139 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: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1580.829639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.829639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.829639 (E_RNA) where: Base-Base interactions energy: -1044.755 where: short stacking energy: -468.290 Base-Backbone interact. energy: 5.133 local terms energy: -541.207575 where: bonds (distance) C4'-P energy: -98.277 bonds (distance) P-C4' energy: -147.767 flat angles C4'-P-C4' energy: -141.761 flat angles P-C4'-P energy: -90.442 tors. eta vs tors. theta energy: -62.961 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: 10, replica: 5 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1071.624000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.624000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.624000 (E_RNA) where: Base-Base interactions energy: -627.071 where: short stacking energy: -340.075 Base-Backbone interact. energy: 1.080 local terms energy: -445.632712 where: bonds (distance) C4'-P energy: -88.161 bonds (distance) P-C4' energy: -128.551 flat angles C4'-P-C4' energy: -133.300 flat angles P-C4'-P energy: -68.617 tors. eta vs tors. theta energy: -27.004 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: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2899.075315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.075315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.075315 (E_RNA) where: Base-Base interactions energy: -2032.794 where: short stacking energy: -844.484 Base-Backbone interact. energy: -0.678 local terms energy: -865.603373 where: bonds (distance) C4'-P energy: -168.949 bonds (distance) P-C4' energy: -163.817 flat angles C4'-P-C4' energy: -190.655 flat angles P-C4'-P energy: -119.891 tors. eta vs tors. theta energy: -222.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2800.595211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.595211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.595211 (E_RNA) where: Base-Base interactions energy: -2012.535 where: short stacking energy: -808.706 Base-Backbone interact. energy: -6.294 local terms energy: -781.765350 where: bonds (distance) C4'-P energy: -155.394 bonds (distance) P-C4' energy: -153.553 flat angles C4'-P-C4' energy: -173.449 flat angles P-C4'-P energy: -111.079 tors. eta vs tors. theta energy: -188.290 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: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2725.622414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.622414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.622414 (E_RNA) where: Base-Base interactions energy: -1936.922 where: short stacking energy: -816.812 Base-Backbone interact. energy: -5.327 local terms energy: -783.373041 where: bonds (distance) C4'-P energy: -153.131 bonds (distance) P-C4' energy: -149.774 flat angles C4'-P-C4' energy: -158.505 flat angles P-C4'-P energy: -117.591 tors. eta vs tors. theta energy: -204.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2575.997718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.997718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.997718 (E_RNA) where: Base-Base interactions energy: -1813.041 where: short stacking energy: -777.388 Base-Backbone interact. energy: -1.146 local terms energy: -761.811250 where: bonds (distance) C4'-P energy: -156.461 bonds (distance) P-C4' energy: -150.750 flat angles C4'-P-C4' energy: -149.634 flat angles P-C4'-P energy: -116.964 tors. eta vs tors. theta energy: -188.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2479.458485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.458485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.458485 (E_RNA) where: Base-Base interactions energy: -1748.083 where: short stacking energy: -724.525 Base-Backbone interact. energy: -1.622 local terms energy: -729.752922 where: bonds (distance) C4'-P energy: -126.303 bonds (distance) P-C4' energy: -133.785 flat angles C4'-P-C4' energy: -170.504 flat angles P-C4'-P energy: -104.383 tors. eta vs tors. theta energy: -194.777 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: 9 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2330.747645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.747645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.747645 (E_RNA) where: Base-Base interactions energy: -1645.907 where: short stacking energy: -695.722 Base-Backbone interact. energy: -0.517 local terms energy: -684.323655 where: bonds (distance) C4'-P energy: -144.378 bonds (distance) P-C4' energy: -133.271 flat angles C4'-P-C4' energy: -146.068 flat angles P-C4'-P energy: -88.354 tors. eta vs tors. theta energy: -172.253 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: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -2118.735747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.735747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.735747 (E_RNA) where: Base-Base interactions energy: -1476.833 where: short stacking energy: -628.146 Base-Backbone interact. energy: -3.843 local terms energy: -638.059135 where: bonds (distance) C4'-P energy: -134.839 bonds (distance) P-C4' energy: -121.913 flat angles C4'-P-C4' energy: -148.985 flat angles P-C4'-P energy: -76.163 tors. eta vs tors. theta energy: -156.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1817.101197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.101197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.101197 (E_RNA) where: Base-Base interactions energy: -1247.196 where: short stacking energy: -531.999 Base-Backbone interact. energy: 1.365 local terms energy: -571.270289 where: bonds (distance) C4'-P energy: -109.728 bonds (distance) P-C4' energy: -143.197 flat angles C4'-P-C4' energy: -144.396 flat angles P-C4'-P energy: -71.184 tors. eta vs tors. theta energy: -102.764 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: 9, replica: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1624.141872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.141872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.141872 (E_RNA) where: Base-Base interactions energy: -1063.882 where: short stacking energy: -495.919 Base-Backbone interact. energy: -1.911 local terms energy: -558.348805 where: bonds (distance) C4'-P energy: -124.685 bonds (distance) P-C4' energy: -121.423 flat angles C4'-P-C4' energy: -140.770 flat angles P-C4'-P energy: -87.009 tors. eta vs tors. theta energy: -84.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1173.739261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.739261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.739261 (E_RNA) where: Base-Base interactions energy: -730.379 where: short stacking energy: -348.695 Base-Backbone interact. energy: 3.141 local terms energy: -446.500740 where: bonds (distance) C4'-P energy: -104.450 bonds (distance) P-C4' energy: -122.190 flat angles C4'-P-C4' energy: -127.378 flat angles P-C4'-P energy: -69.129 tors. eta vs tors. theta energy: -23.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2894.810542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.810542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.810542 (E_RNA) where: Base-Base interactions energy: -2041.549 where: short stacking energy: -866.342 Base-Backbone interact. energy: -1.696 local terms energy: -851.565398 where: bonds (distance) C4'-P energy: -160.793 bonds (distance) P-C4' energy: -175.800 flat angles C4'-P-C4' energy: -170.879 flat angles P-C4'-P energy: -119.976 tors. eta vs tors. theta energy: -224.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2784.704167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.704167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.704167 (E_RNA) where: Base-Base interactions energy: -2013.972 where: short stacking energy: -810.867 Base-Backbone interact. energy: 1.348 local terms energy: -772.079656 where: bonds (distance) C4'-P energy: -155.740 bonds (distance) P-C4' energy: -150.659 flat angles C4'-P-C4' energy: -162.613 flat angles P-C4'-P energy: -106.064 tors. eta vs tors. theta energy: -197.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2775.324735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.324735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.324735 (E_RNA) where: Base-Base interactions energy: -2005.149 where: short stacking energy: -833.338 Base-Backbone interact. energy: -6.175 local terms energy: -764.000824 where: bonds (distance) C4'-P energy: -132.104 bonds (distance) P-C4' energy: -134.664 flat angles C4'-P-C4' energy: -172.059 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -223.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2620.126524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.126524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.126524 (E_RNA) where: Base-Base interactions energy: -1891.148 where: short stacking energy: -791.905 Base-Backbone interact. energy: -6.219 local terms energy: -722.758982 where: bonds (distance) C4'-P energy: -122.861 bonds (distance) P-C4' energy: -139.719 flat angles C4'-P-C4' energy: -156.485 flat angles P-C4'-P energy: -110.647 tors. eta vs tors. theta energy: -193.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2532.740493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.740493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.740493 (E_RNA) where: Base-Base interactions energy: -1766.107 where: short stacking energy: -776.712 Base-Backbone interact. energy: -2.732 local terms energy: -763.901568 where: bonds (distance) C4'-P energy: -130.510 bonds (distance) P-C4' energy: -153.487 flat angles C4'-P-C4' energy: -177.854 flat angles P-C4'-P energy: -104.214 tors. eta vs tors. theta energy: -197.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2403.409541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.409541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.409541 (E_RNA) where: Base-Base interactions energy: -1705.405 where: short stacking energy: -715.651 Base-Backbone interact. energy: 1.742 local terms energy: -699.746835 where: bonds (distance) C4'-P energy: -125.293 bonds (distance) P-C4' energy: -150.603 flat angles C4'-P-C4' energy: -165.413 flat angles P-C4'-P energy: -87.491 tors. eta vs tors. theta energy: -170.947 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: 4 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -2082.953164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.953164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.953164 (E_RNA) where: Base-Base interactions energy: -1428.743 where: short stacking energy: -626.376 Base-Backbone interact. energy: -3.550 local terms energy: -650.660320 where: bonds (distance) C4'-P energy: -123.590 bonds (distance) P-C4' energy: -130.904 flat angles C4'-P-C4' energy: -145.738 flat angles P-C4'-P energy: -102.850 tors. eta vs tors. theta energy: -147.579 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: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1859.940160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.940160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.940160 (E_RNA) where: Base-Base interactions energy: -1265.096 where: short stacking energy: -550.913 Base-Backbone interact. energy: -2.127 local terms energy: -592.716993 where: bonds (distance) C4'-P energy: -121.167 bonds (distance) P-C4' energy: -124.990 flat angles C4'-P-C4' energy: -136.618 flat angles P-C4'-P energy: -96.952 tors. eta vs tors. theta energy: -112.992 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: 9, replica: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1519.460419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.460419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.460419 (E_RNA) where: Base-Base interactions energy: -966.093 where: short stacking energy: -429.188 Base-Backbone interact. energy: -4.956 local terms energy: -548.412208 where: bonds (distance) C4'-P energy: -113.662 bonds (distance) P-C4' energy: -141.388 flat angles C4'-P-C4' energy: -134.802 flat angles P-C4'-P energy: -86.123 tors. eta vs tors. theta energy: -72.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -1155.714804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.714804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.714804 (E_RNA) where: Base-Base interactions energy: -707.813 where: short stacking energy: -340.834 Base-Backbone interact. energy: 2.370 local terms energy: -450.272655 where: bonds (distance) C4'-P energy: -111.587 bonds (distance) P-C4' energy: -147.743 flat angles C4'-P-C4' energy: -99.513 flat angles P-C4'-P energy: -74.226 tors. eta vs tors. theta energy: -17.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2953.530809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.530809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.530809 (E_RNA) where: Base-Base interactions energy: -2098.474 where: short stacking energy: -904.849 Base-Backbone interact. energy: -4.039 local terms energy: -851.017359 where: bonds (distance) C4'-P energy: -155.251 bonds (distance) P-C4' energy: -153.633 flat angles C4'-P-C4' energy: -177.338 flat angles P-C4'-P energy: -122.465 tors. eta vs tors. theta energy: -242.330 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: 121 Temperature: 0.950000 Total energy: -2812.628188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.628188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.628188 (E_RNA) where: Base-Base interactions energy: -2034.695 where: short stacking energy: -831.010 Base-Backbone interact. energy: -4.447 local terms energy: -773.485975 where: bonds (distance) C4'-P energy: -134.654 bonds (distance) P-C4' energy: -154.585 flat angles C4'-P-C4' energy: -159.517 flat angles P-C4'-P energy: -121.748 tors. eta vs tors. theta energy: -202.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2736.626379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.626379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.626379 (E_RNA) where: Base-Base interactions energy: -1942.748 where: short stacking energy: -814.573 Base-Backbone interact. energy: 2.962 local terms energy: -796.840805 where: bonds (distance) C4'-P energy: -140.656 bonds (distance) P-C4' energy: -166.873 flat angles C4'-P-C4' energy: -165.927 flat angles P-C4'-P energy: -114.403 tors. eta vs tors. theta energy: -208.982 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: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2640.718409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.718409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.718409 (E_RNA) where: Base-Base interactions energy: -1880.243 where: short stacking energy: -796.820 Base-Backbone interact. energy: 0.226 local terms energy: -760.701190 where: bonds (distance) C4'-P energy: -142.671 bonds (distance) P-C4' energy: -152.368 flat angles C4'-P-C4' energy: -172.513 flat angles P-C4'-P energy: -94.031 tors. eta vs tors. theta energy: -199.118 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: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2484.344541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.344541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.344541 (E_RNA) where: Base-Base interactions energy: -1729.554 where: short stacking energy: -775.674 Base-Backbone interact. energy: -1.265 local terms energy: -753.525382 where: bonds (distance) C4'-P energy: -136.262 bonds (distance) P-C4' energy: -139.338 flat angles C4'-P-C4' energy: -163.034 flat angles P-C4'-P energy: -112.800 tors. eta vs tors. theta energy: -202.091 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: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2377.224977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.224977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.224977 (E_RNA) where: Base-Base interactions energy: -1690.490 where: short stacking energy: -707.304 Base-Backbone interact. energy: -4.180 local terms energy: -682.554500 where: bonds (distance) C4'-P energy: -133.218 bonds (distance) P-C4' energy: -129.222 flat angles C4'-P-C4' energy: -159.088 flat angles P-C4'-P energy: -96.483 tors. eta vs tors. theta energy: -164.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -2104.837307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.837307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.837307 (E_RNA) where: Base-Base interactions energy: -1435.702 where: short stacking energy: -605.742 Base-Backbone interact. energy: -1.388 local terms energy: -667.747058 where: bonds (distance) C4'-P energy: -152.610 bonds (distance) P-C4' energy: -131.678 flat angles C4'-P-C4' energy: -149.352 flat angles P-C4'-P energy: -87.735 tors. eta vs tors. theta energy: -146.372 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: 121 Temperature: 1.250000 Total energy: -1843.850598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.850598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.850598 (E_RNA) where: Base-Base interactions energy: -1257.109 where: short stacking energy: -559.966 Base-Backbone interact. energy: -0.071 local terms energy: -586.670304 where: bonds (distance) C4'-P energy: -120.038 bonds (distance) P-C4' energy: -113.652 flat angles C4'-P-C4' energy: -144.220 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -104.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1528.181492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.181492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.181492 (E_RNA) where: Base-Base interactions energy: -993.341 where: short stacking energy: -475.804 Base-Backbone interact. energy: 1.243 local terms energy: -536.083161 where: bonds (distance) C4'-P energy: -135.196 bonds (distance) P-C4' energy: -131.041 flat angles C4'-P-C4' energy: -137.381 flat angles P-C4'-P energy: -52.346 tors. eta vs tors. theta energy: -80.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1215.241418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.241418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.241418 (E_RNA) where: Base-Base interactions energy: -759.586 where: short stacking energy: -381.676 Base-Backbone interact. energy: -1.330 local terms energy: -454.325022 where: bonds (distance) C4'-P energy: -121.324 bonds (distance) P-C4' energy: -108.542 flat angles C4'-P-C4' energy: -121.577 flat angles P-C4'-P energy: -72.771 tors. eta vs tors. theta energy: -30.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2929.908803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.908803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.908803 (E_RNA) where: Base-Base interactions energy: -2081.068 where: short stacking energy: -870.337 Base-Backbone interact. energy: -5.012 local terms energy: -843.829256 where: bonds (distance) C4'-P energy: -160.413 bonds (distance) P-C4' energy: -154.845 flat angles C4'-P-C4' energy: -185.836 flat angles P-C4'-P energy: -122.671 tors. eta vs tors. theta energy: -220.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2800.304806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.304806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.304806 (E_RNA) where: Base-Base interactions energy: -1990.041 where: short stacking energy: -842.178 Base-Backbone interact. energy: 0.815 local terms energy: -811.078427 where: bonds (distance) C4'-P energy: -149.989 bonds (distance) P-C4' energy: -173.833 flat angles C4'-P-C4' energy: -172.689 flat angles P-C4'-P energy: -119.535 tors. eta vs tors. theta energy: -195.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2734.309783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.309783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.309783 (E_RNA) where: Base-Base interactions energy: -1920.468 where: short stacking energy: -766.466 Base-Backbone interact. energy: -3.993 local terms energy: -809.848726 where: bonds (distance) C4'-P energy: -157.736 bonds (distance) P-C4' energy: -163.484 flat angles C4'-P-C4' energy: -178.339 flat angles P-C4'-P energy: -106.375 tors. eta vs tors. theta energy: -203.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2614.988314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.988314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.988314 (E_RNA) where: Base-Base interactions energy: -1892.586 where: short stacking energy: -799.148 Base-Backbone interact. energy: 2.307 local terms energy: -724.709235 where: bonds (distance) C4'-P energy: -146.577 bonds (distance) P-C4' energy: -121.212 flat angles C4'-P-C4' energy: -155.670 flat angles P-C4'-P energy: -98.004 tors. eta vs tors. theta energy: -203.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2494.030035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.030035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.030035 (E_RNA) where: Base-Base interactions energy: -1739.418 where: short stacking energy: -744.638 Base-Backbone interact. energy: -0.976 local terms energy: -753.636025 where: bonds (distance) C4'-P energy: -122.822 bonds (distance) P-C4' energy: -159.912 flat angles C4'-P-C4' energy: -152.559 flat angles P-C4'-P energy: -115.328 tors. eta vs tors. theta energy: -203.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2340.250819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.250819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.250819 (E_RNA) where: Base-Base interactions energy: -1617.213 where: short stacking energy: -704.904 Base-Backbone interact. energy: -3.752 local terms energy: -719.285587 where: bonds (distance) C4'-P energy: -123.098 bonds (distance) P-C4' energy: -149.570 flat angles C4'-P-C4' energy: -159.540 flat angles P-C4'-P energy: -104.827 tors. eta vs tors. theta energy: -182.251 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: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -2163.907844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.907844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.907844 (E_RNA) where: Base-Base interactions energy: -1521.639 where: short stacking energy: -654.528 Base-Backbone interact. energy: -1.151 local terms energy: -641.117191 where: bonds (distance) C4'-P energy: -118.069 bonds (distance) P-C4' energy: -125.037 flat angles C4'-P-C4' energy: -164.081 flat angles P-C4'-P energy: -74.167 tors. eta vs tors. theta energy: -159.764 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: 122 Temperature: 1.250000 Total energy: -1815.953292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.953292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.953292 (E_RNA) where: Base-Base interactions energy: -1227.957 where: short stacking energy: -530.248 Base-Backbone interact. energy: -1.164 local terms energy: -586.832182 where: bonds (distance) C4'-P energy: -121.591 bonds (distance) P-C4' energy: -142.886 flat angles C4'-P-C4' energy: -137.037 flat angles P-C4'-P energy: -86.218 tors. eta vs tors. theta energy: -99.100 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: 6 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1564.474151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.474151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.474151 (E_RNA) where: Base-Base interactions energy: -1035.192 where: short stacking energy: -437.822 Base-Backbone interact. energy: 2.665 local terms energy: -531.946665 where: bonds (distance) C4'-P energy: -123.232 bonds (distance) P-C4' energy: -145.774 flat angles C4'-P-C4' energy: -102.812 flat angles P-C4'-P energy: -81.058 tors. eta vs tors. theta energy: -79.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1267.276529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.276529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.276529 (E_RNA) where: Base-Base interactions energy: -762.651 where: short stacking energy: -353.540 Base-Backbone interact. energy: -5.548 local terms energy: -499.077642 where: bonds (distance) C4'-P energy: -138.581 bonds (distance) P-C4' energy: -118.343 flat angles C4'-P-C4' energy: -131.195 flat angles P-C4'-P energy: -68.722 tors. eta vs tors. theta energy: -42.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2942.641326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.641326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.641326 (E_RNA) where: Base-Base interactions energy: -2094.311 where: short stacking energy: -899.697 Base-Backbone interact. energy: 2.774 local terms energy: -851.104723 where: bonds (distance) C4'-P energy: -170.773 bonds (distance) P-C4' energy: -145.580 flat angles C4'-P-C4' energy: -166.856 flat angles P-C4'-P energy: -125.367 tors. eta vs tors. theta energy: -242.530 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: 123 Temperature: 0.950000 Total energy: -2789.196693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.196693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.196693 (E_RNA) where: Base-Base interactions energy: -1978.451 where: short stacking energy: -819.071 Base-Backbone interact. energy: 0.464 local terms energy: -811.209315 where: bonds (distance) C4'-P energy: -141.877 bonds (distance) P-C4' energy: -169.419 flat angles C4'-P-C4' energy: -176.669 flat angles P-C4'-P energy: -107.930 tors. eta vs tors. theta energy: -215.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2715.090701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.090701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.090701 (E_RNA) where: Base-Base interactions energy: -1959.594 where: short stacking energy: -795.285 Base-Backbone interact. energy: 4.322 local terms energy: -759.818807 where: bonds (distance) C4'-P energy: -129.497 bonds (distance) P-C4' energy: -153.767 flat angles C4'-P-C4' energy: -167.737 flat angles P-C4'-P energy: -111.577 tors. eta vs tors. theta energy: -197.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2585.073071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.073071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.073071 (E_RNA) where: Base-Base interactions energy: -1818.511 where: short stacking energy: -767.249 Base-Backbone interact. energy: -2.750 local terms energy: -763.811642 where: bonds (distance) C4'-P energy: -142.363 bonds (distance) P-C4' energy: -161.090 flat angles C4'-P-C4' energy: -161.372 flat angles P-C4'-P energy: -88.732 tors. eta vs tors. theta energy: -210.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2525.493638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.493638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.493638 (E_RNA) where: Base-Base interactions energy: -1804.242 where: short stacking energy: -777.486 Base-Backbone interact. energy: -2.384 local terms energy: -718.867400 where: bonds (distance) C4'-P energy: -129.528 bonds (distance) P-C4' energy: -139.883 flat angles C4'-P-C4' energy: -157.904 flat angles P-C4'-P energy: -94.107 tors. eta vs tors. theta energy: -197.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2313.881770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.881770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.881770 (E_RNA) where: Base-Base interactions energy: -1626.787 where: short stacking energy: -695.143 Base-Backbone interact. energy: 0.059 local terms energy: -687.153024 where: bonds (distance) C4'-P energy: -124.366 bonds (distance) P-C4' energy: -140.390 flat angles C4'-P-C4' energy: -161.750 flat angles P-C4'-P energy: -93.681 tors. eta vs tors. theta energy: -166.966 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: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -2145.181412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.181412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.181412 (E_RNA) where: Base-Base interactions energy: -1489.932 where: short stacking energy: -665.940 Base-Backbone interact. energy: 4.330 local terms energy: -659.579230 where: bonds (distance) C4'-P energy: -124.842 bonds (distance) P-C4' energy: -138.549 flat angles C4'-P-C4' energy: -140.950 flat angles P-C4'-P energy: -81.594 tors. eta vs tors. theta energy: -173.645 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: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1813.007912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.007912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.007912 (E_RNA) where: Base-Base interactions energy: -1262.199 where: short stacking energy: -551.298 Base-Backbone interact. energy: -0.148 local terms energy: -550.661203 where: bonds (distance) C4'-P energy: -106.516 bonds (distance) P-C4' energy: -126.289 flat angles C4'-P-C4' energy: -130.353 flat angles P-C4'-P energy: -88.601 tors. eta vs tors. theta energy: -98.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1560.087411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.087411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.087411 (E_RNA) where: Base-Base interactions energy: -1039.398 where: short stacking energy: -456.469 Base-Backbone interact. energy: 2.056 local terms energy: -522.745174 where: bonds (distance) C4'-P energy: -117.679 bonds (distance) P-C4' energy: -116.159 flat angles C4'-P-C4' energy: -139.825 flat angles P-C4'-P energy: -70.304 tors. eta vs tors. theta energy: -78.778 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: 10, replica: 5 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1372.428531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.428531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.428531 (E_RNA) where: Base-Base interactions energy: -887.770 where: short stacking energy: -393.977 Base-Backbone interact. energy: 6.180 local terms energy: -490.838508 where: bonds (distance) C4'-P energy: -93.383 bonds (distance) P-C4' energy: -119.500 flat angles C4'-P-C4' energy: -139.495 flat angles P-C4'-P energy: -74.102 tors. eta vs tors. theta energy: -64.358 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: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2913.514407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.514407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.514407 (E_RNA) where: Base-Base interactions energy: -2045.476 where: short stacking energy: -868.480 Base-Backbone interact. energy: -1.202 local terms energy: -866.836411 where: bonds (distance) C4'-P energy: -150.137 bonds (distance) P-C4' energy: -167.914 flat angles C4'-P-C4' energy: -186.523 flat angles P-C4'-P energy: -126.347 tors. eta vs tors. theta energy: -235.915 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: 2, replica: 2 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2795.717493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.717493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.717493 (E_RNA) where: Base-Base interactions energy: -1991.949 where: short stacking energy: -828.103 Base-Backbone interact. energy: -6.551 local terms energy: -797.217430 where: bonds (distance) C4'-P energy: -151.844 bonds (distance) P-C4' energy: -158.646 flat angles C4'-P-C4' energy: -180.458 flat angles P-C4'-P energy: -106.304 tors. eta vs tors. theta energy: -199.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2731.607551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.607551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.607551 (E_RNA) where: Base-Base interactions energy: -1934.554 where: short stacking energy: -806.395 Base-Backbone interact. energy: -2.513 local terms energy: -794.540441 where: bonds (distance) C4'-P energy: -142.047 bonds (distance) P-C4' energy: -151.300 flat angles C4'-P-C4' energy: -168.245 flat angles P-C4'-P energy: -123.217 tors. eta vs tors. theta energy: -209.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2599.298591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.298591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.298591 (E_RNA) where: Base-Base interactions energy: -1802.220 where: short stacking energy: -772.700 Base-Backbone interact. energy: -4.273 local terms energy: -792.805638 where: bonds (distance) C4'-P energy: -141.119 bonds (distance) P-C4' energy: -145.246 flat angles C4'-P-C4' energy: -172.685 flat angles P-C4'-P energy: -129.709 tors. eta vs tors. theta energy: -204.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2541.141465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.141465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.141465 (E_RNA) where: Base-Base interactions energy: -1775.035 where: short stacking energy: -777.261 Base-Backbone interact. energy: 0.998 local terms energy: -767.104744 where: bonds (distance) C4'-P energy: -138.193 bonds (distance) P-C4' energy: -144.703 flat angles C4'-P-C4' energy: -175.521 flat angles P-C4'-P energy: -114.517 tors. eta vs tors. theta energy: -194.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2341.437074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.437074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.437074 (E_RNA) where: Base-Base interactions energy: -1642.215 where: short stacking energy: -705.889 Base-Backbone interact. energy: 2.351 local terms energy: -701.572626 where: bonds (distance) C4'-P energy: -127.236 bonds (distance) P-C4' energy: -139.922 flat angles C4'-P-C4' energy: -163.472 flat angles P-C4'-P energy: -95.167 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: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -2204.266834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.266834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.266834 (E_RNA) where: Base-Base interactions energy: -1524.672 where: short stacking energy: -634.049 Base-Backbone interact. energy: -1.945 local terms energy: -677.649686 where: bonds (distance) C4'-P energy: -140.213 bonds (distance) P-C4' energy: -131.873 flat angles C4'-P-C4' energy: -149.979 flat angles P-C4'-P energy: -103.032 tors. eta vs tors. theta energy: -152.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1832.745192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.745192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.745192 (E_RNA) where: Base-Base interactions energy: -1241.436 where: short stacking energy: -545.361 Base-Backbone interact. energy: -4.090 local terms energy: -587.218943 where: bonds (distance) C4'-P energy: -130.843 bonds (distance) P-C4' energy: -120.776 flat angles C4'-P-C4' energy: -143.810 flat angles P-C4'-P energy: -76.307 tors. eta vs tors. theta energy: -115.483 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: 6 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1534.327771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.327771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.327771 (E_RNA) where: Base-Base interactions energy: -972.939 where: short stacking energy: -477.679 Base-Backbone interact. energy: -2.222 local terms energy: -559.165951 where: bonds (distance) C4'-P energy: -150.054 bonds (distance) P-C4' energy: -127.027 flat angles C4'-P-C4' energy: -118.204 flat angles P-C4'-P energy: -79.283 tors. eta vs tors. theta energy: -84.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -1354.238927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.238927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.238927 (E_RNA) where: Base-Base interactions energy: -813.090 where: short stacking energy: -389.697 Base-Backbone interact. energy: 2.831 local terms energy: -543.980715 where: bonds (distance) C4'-P energy: -137.714 bonds (distance) P-C4' energy: -138.451 flat angles C4'-P-C4' energy: -132.694 flat angles P-C4'-P energy: -86.245 tors. eta vs tors. theta energy: -48.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2946.003103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.003103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.003103 (E_RNA) where: Base-Base interactions energy: -2089.512 where: short stacking energy: -881.831 Base-Backbone interact. energy: -3.957 local terms energy: -852.533874 where: bonds (distance) C4'-P energy: -155.932 bonds (distance) P-C4' energy: -155.372 flat angles C4'-P-C4' energy: -181.009 flat angles P-C4'-P energy: -130.342 tors. eta vs tors. theta energy: -229.879 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: 2 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2769.311745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.311745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.311745 (E_RNA) where: Base-Base interactions energy: -1969.414 where: short stacking energy: -814.244 Base-Backbone interact. energy: -6.044 local terms energy: -793.853592 where: bonds (distance) C4'-P energy: -148.320 bonds (distance) P-C4' energy: -154.170 flat angles C4'-P-C4' energy: -165.408 flat angles P-C4'-P energy: -118.075 tors. eta vs tors. theta energy: -207.880 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: 125 Temperature: 1.000000 Total energy: -2745.652374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.652374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.652374 (E_RNA) where: Base-Base interactions energy: -1942.471 where: short stacking energy: -808.222 Base-Backbone interact. energy: -4.909 local terms energy: -798.272732 where: bonds (distance) C4'-P energy: -145.809 bonds (distance) P-C4' energy: -150.254 flat angles C4'-P-C4' energy: -177.707 flat angles P-C4'-P energy: -122.172 tors. eta vs tors. theta energy: -202.331 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: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2617.445379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.445379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.445379 (E_RNA) where: Base-Base interactions energy: -1859.819 where: short stacking energy: -798.906 Base-Backbone interact. energy: 2.677 local terms energy: -760.303466 where: bonds (distance) C4'-P energy: -160.124 bonds (distance) P-C4' energy: -132.004 flat angles C4'-P-C4' energy: -157.717 flat angles P-C4'-P energy: -101.912 tors. eta vs tors. theta energy: -208.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2529.673207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.673207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.673207 (E_RNA) where: Base-Base interactions energy: -1778.499 where: short stacking energy: -757.369 Base-Backbone interact. energy: -1.769 local terms energy: -749.404750 where: bonds (distance) C4'-P energy: -158.053 bonds (distance) P-C4' energy: -129.290 flat angles C4'-P-C4' energy: -170.795 flat angles P-C4'-P energy: -103.040 tors. eta vs tors. theta energy: -188.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2417.524276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.524276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.524276 (E_RNA) where: Base-Base interactions energy: -1677.937 where: short stacking energy: -726.178 Base-Backbone interact. energy: 2.736 local terms energy: -742.322986 where: bonds (distance) C4'-P energy: -144.081 bonds (distance) P-C4' energy: -134.003 flat angles C4'-P-C4' energy: -161.840 flat angles P-C4'-P energy: -122.449 tors. eta vs tors. theta energy: -179.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -2212.385164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.385164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.385164 (E_RNA) where: Base-Base interactions energy: -1533.871 where: short stacking energy: -654.642 Base-Backbone interact. energy: 3.653 local terms energy: -682.167438 where: bonds (distance) C4'-P energy: -125.345 bonds (distance) P-C4' energy: -138.309 flat angles C4'-P-C4' energy: -168.244 flat angles P-C4'-P energy: -82.023 tors. eta vs tors. theta energy: -168.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1797.133995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.133995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.133995 (E_RNA) where: Base-Base interactions energy: -1178.622 where: short stacking energy: -525.877 Base-Backbone interact. energy: -1.304 local terms energy: -617.207756 where: bonds (distance) C4'-P energy: -141.055 bonds (distance) P-C4' energy: -152.775 flat angles C4'-P-C4' energy: -139.264 flat angles P-C4'-P energy: -69.178 tors. eta vs tors. theta energy: -114.935 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: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1523.783649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.783649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.783649 (E_RNA) where: Base-Base interactions energy: -972.993 where: short stacking energy: -489.725 Base-Backbone interact. energy: -1.834 local terms energy: -548.957369 where: bonds (distance) C4'-P energy: -115.152 bonds (distance) P-C4' energy: -125.725 flat angles C4'-P-C4' energy: -148.395 flat angles P-C4'-P energy: -58.996 tors. eta vs tors. theta energy: -100.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1427.764665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.764665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.764665 (E_RNA) where: Base-Base interactions energy: -866.430 where: short stacking energy: -416.134 Base-Backbone interact. energy: 0.263 local terms energy: -561.597519 where: bonds (distance) C4'-P energy: -121.968 bonds (distance) P-C4' energy: -141.422 flat angles C4'-P-C4' energy: -137.045 flat angles P-C4'-P energy: -91.261 tors. eta vs tors. theta energy: -69.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2955.227609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.227609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.227609 (E_RNA) where: Base-Base interactions energy: -2111.314 where: short stacking energy: -883.931 Base-Backbone interact. energy: -3.402 local terms energy: -840.512415 where: bonds (distance) C4'-P energy: -137.102 bonds (distance) P-C4' energy: -164.570 flat angles C4'-P-C4' energy: -184.939 flat angles P-C4'-P energy: -124.222 tors. eta vs tors. theta energy: -229.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2818.030287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.030287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.030287 (E_RNA) where: Base-Base interactions energy: -1999.517 where: short stacking energy: -823.841 Base-Backbone interact. energy: -2.423 local terms energy: -816.090831 where: bonds (distance) C4'-P energy: -152.831 bonds (distance) P-C4' energy: -163.506 flat angles C4'-P-C4' energy: -165.850 flat angles P-C4'-P energy: -126.075 tors. eta vs tors. theta energy: -207.829 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: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2720.249363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.249363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.249363 (E_RNA) where: Base-Base interactions energy: -1923.767 where: short stacking energy: -850.739 Base-Backbone interact. energy: -5.491 local terms energy: -790.991405 where: bonds (distance) C4'-P energy: -136.983 bonds (distance) P-C4' energy: -146.697 flat angles C4'-P-C4' energy: -180.408 flat angles P-C4'-P energy: -101.997 tors. eta vs tors. theta energy: -224.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2630.607215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.607215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.607215 (E_RNA) where: Base-Base interactions energy: -1852.542 where: short stacking energy: -754.455 Base-Backbone interact. energy: -3.718 local terms energy: -774.347270 where: bonds (distance) C4'-P energy: -134.001 bonds (distance) P-C4' energy: -161.851 flat angles C4'-P-C4' energy: -176.286 flat angles P-C4'-P energy: -101.636 tors. eta vs tors. theta energy: -200.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2514.814273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.814273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.814273 (E_RNA) where: Base-Base interactions energy: -1768.483 where: short stacking energy: -736.582 Base-Backbone interact. energy: -2.228 local terms energy: -744.103135 where: bonds (distance) C4'-P energy: -134.352 bonds (distance) P-C4' energy: -146.712 flat angles C4'-P-C4' energy: -156.170 flat angles P-C4'-P energy: -117.457 tors. eta vs tors. theta energy: -189.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2408.450143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.450143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.450143 (E_RNA) where: Base-Base interactions energy: -1705.084 where: short stacking energy: -759.596 Base-Backbone interact. energy: 0.853 local terms energy: -704.218195 where: bonds (distance) C4'-P energy: -122.691 bonds (distance) P-C4' energy: -144.596 flat angles C4'-P-C4' energy: -154.661 flat angles P-C4'-P energy: -82.751 tors. eta vs tors. theta energy: -199.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -2178.408389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.408389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.408389 (E_RNA) where: Base-Base interactions energy: -1525.405 where: short stacking energy: -666.894 Base-Backbone interact. energy: -3.237 local terms energy: -649.767191 where: bonds (distance) C4'-P energy: -126.826 bonds (distance) P-C4' energy: -123.722 flat angles C4'-P-C4' energy: -143.297 flat angles P-C4'-P energy: -100.315 tors. eta vs tors. theta energy: -155.607 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: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1778.193557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.193557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.193557 (E_RNA) where: Base-Base interactions energy: -1196.737 where: short stacking energy: -541.273 Base-Backbone interact. energy: -2.371 local terms energy: -579.085144 where: bonds (distance) C4'-P energy: -111.336 bonds (distance) P-C4' energy: -146.448 flat angles C4'-P-C4' energy: -152.404 flat angles P-C4'-P energy: -61.401 tors. eta vs tors. theta energy: -107.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1504.036643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.036643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.036643 (E_RNA) where: Base-Base interactions energy: -983.819 where: short stacking energy: -448.237 Base-Backbone interact. energy: 4.247 local terms energy: -524.465061 where: bonds (distance) C4'-P energy: -109.081 bonds (distance) P-C4' energy: -139.393 flat angles C4'-P-C4' energy: -133.132 flat angles P-C4'-P energy: -75.405 tors. eta vs tors. theta energy: -67.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1293.936354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.936354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.936354 (E_RNA) where: Base-Base interactions energy: -791.464 where: short stacking energy: -372.746 Base-Backbone interact. energy: -1.452 local terms energy: -501.020604 where: bonds (distance) C4'-P energy: -123.396 bonds (distance) P-C4' energy: -123.928 flat angles C4'-P-C4' energy: -113.056 flat angles P-C4'-P energy: -88.852 tors. eta vs tors. theta energy: -51.788 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: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2919.226120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.226120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.226120 (E_RNA) where: Base-Base interactions energy: -2066.242 where: short stacking energy: -851.836 Base-Backbone interact. energy: -4.140 local terms energy: -848.844355 where: bonds (distance) C4'-P energy: -166.809 bonds (distance) P-C4' energy: -156.785 flat angles C4'-P-C4' energy: -186.446 flat angles P-C4'-P energy: -109.417 tors. eta vs tors. theta energy: -229.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2806.913296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.913296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.913296 (E_RNA) where: Base-Base interactions energy: -1985.952 where: short stacking energy: -839.040 Base-Backbone interact. energy: -5.309 local terms energy: -815.652216 where: bonds (distance) C4'-P energy: -152.463 bonds (distance) P-C4' energy: -166.162 flat angles C4'-P-C4' energy: -178.282 flat angles P-C4'-P energy: -106.269 tors. eta vs tors. theta energy: -212.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2711.642829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.642829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.642829 (E_RNA) where: Base-Base interactions energy: -1903.982 where: short stacking energy: -817.223 Base-Backbone interact. energy: 0.972 local terms energy: -808.633694 where: bonds (distance) C4'-P energy: -152.238 bonds (distance) P-C4' energy: -143.884 flat angles C4'-P-C4' energy: -168.200 flat angles P-C4'-P energy: -123.864 tors. eta vs tors. theta energy: -220.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2646.964035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.964035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.964035 (E_RNA) where: Base-Base interactions energy: -1874.982 where: short stacking energy: -793.848 Base-Backbone interact. energy: -3.716 local terms energy: -768.265592 where: bonds (distance) C4'-P energy: -148.731 bonds (distance) P-C4' energy: -143.804 flat angles C4'-P-C4' energy: -167.176 flat angles P-C4'-P energy: -109.943 tors. eta vs tors. theta energy: -198.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2473.087751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.087751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.087751 (E_RNA) where: Base-Base interactions energy: -1735.364 where: short stacking energy: -737.504 Base-Backbone interact. energy: -5.043 local terms energy: -732.680974 where: bonds (distance) C4'-P energy: -143.514 bonds (distance) P-C4' energy: -136.996 flat angles C4'-P-C4' energy: -158.720 flat angles P-C4'-P energy: -111.606 tors. eta vs tors. theta energy: -181.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2329.948222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.948222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.948222 (E_RNA) where: Base-Base interactions energy: -1614.507 where: short stacking energy: -708.995 Base-Backbone interact. energy: 9.305 local terms energy: -724.747017 where: bonds (distance) C4'-P energy: -141.500 bonds (distance) P-C4' energy: -145.707 flat angles C4'-P-C4' energy: -173.352 flat angles P-C4'-P energy: -79.244 tors. eta vs tors. theta energy: -184.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -2192.451809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.451809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.451809 (E_RNA) where: Base-Base interactions energy: -1522.792 where: short stacking energy: -645.898 Base-Backbone interact. energy: -1.983 local terms energy: -667.677396 where: bonds (distance) C4'-P energy: -137.936 bonds (distance) P-C4' energy: -119.430 flat angles C4'-P-C4' energy: -147.135 flat angles P-C4'-P energy: -98.737 tors. eta vs tors. theta energy: -164.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1806.974556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.974556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.974556 (E_RNA) where: Base-Base interactions energy: -1219.726 where: short stacking energy: -544.954 Base-Backbone interact. energy: 4.944 local terms energy: -592.191705 where: bonds (distance) C4'-P energy: -136.427 bonds (distance) P-C4' energy: -122.788 flat angles C4'-P-C4' energy: -131.026 flat angles P-C4'-P energy: -94.647 tors. eta vs tors. theta energy: -107.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1563.053611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.053611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.053611 (E_RNA) where: Base-Base interactions energy: -1034.402 where: short stacking energy: -495.717 Base-Backbone interact. energy: 2.127 local terms energy: -530.778626 where: bonds (distance) C4'-P energy: -102.405 bonds (distance) P-C4' energy: -130.633 flat angles C4'-P-C4' energy: -126.283 flat angles P-C4'-P energy: -77.531 tors. eta vs tors. theta energy: -93.927 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: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1362.117558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.117558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.117558 (E_RNA) where: Base-Base interactions energy: -855.344 where: short stacking energy: -408.316 Base-Backbone interact. energy: -1.886 local terms energy: -504.887780 where: bonds (distance) C4'-P energy: -118.224 bonds (distance) P-C4' energy: -119.743 flat angles C4'-P-C4' energy: -129.405 flat angles P-C4'-P energy: -81.529 tors. eta vs tors. theta energy: -55.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2973.138345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.138345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.138345 (E_RNA) where: Base-Base interactions energy: -2112.368 where: short stacking energy: -870.197 Base-Backbone interact. energy: -5.407 local terms energy: -855.362780 where: bonds (distance) C4'-P energy: -160.116 bonds (distance) P-C4' energy: -171.505 flat angles C4'-P-C4' energy: -184.185 flat angles P-C4'-P energy: -112.870 tors. eta vs tors. theta energy: -226.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2801.798281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.798281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.798281 (E_RNA) where: Base-Base interactions energy: -1968.455 where: short stacking energy: -836.594 Base-Backbone interact. energy: -1.208 local terms energy: -832.135422 where: bonds (distance) C4'-P energy: -161.756 bonds (distance) P-C4' energy: -154.147 flat angles C4'-P-C4' energy: -197.378 flat angles P-C4'-P energy: -113.573 tors. eta vs tors. theta energy: -205.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2767.219358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.219358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.219358 (E_RNA) where: Base-Base interactions energy: -1986.602 where: short stacking energy: -820.730 Base-Backbone interact. energy: -6.863 local terms energy: -773.753629 where: bonds (distance) C4'-P energy: -151.546 bonds (distance) P-C4' energy: -130.697 flat angles C4'-P-C4' energy: -174.516 flat angles P-C4'-P energy: -113.748 tors. eta vs tors. theta energy: -203.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2659.297124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.297124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.297124 (E_RNA) where: Base-Base interactions energy: -1880.241 where: short stacking energy: -830.313 Base-Backbone interact. energy: -2.824 local terms energy: -776.232158 where: bonds (distance) C4'-P energy: -148.844 bonds (distance) P-C4' energy: -148.901 flat angles C4'-P-C4' energy: -160.057 flat angles P-C4'-P energy: -114.295 tors. eta vs tors. theta energy: -204.136 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: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2536.098144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.098144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.098144 (E_RNA) where: Base-Base interactions energy: -1766.011 where: short stacking energy: -731.852 Base-Backbone interact. energy: -2.989 local terms energy: -767.098205 where: bonds (distance) C4'-P energy: -158.849 bonds (distance) P-C4' energy: -141.776 flat angles C4'-P-C4' energy: -170.528 flat angles P-C4'-P energy: -108.782 tors. eta vs tors. theta energy: -187.163 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: 9 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2354.843116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.843116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.843116 (E_RNA) where: Base-Base interactions energy: -1658.558 where: short stacking energy: -716.746 Base-Backbone interact. energy: 2.982 local terms energy: -699.266946 where: bonds (distance) C4'-P energy: -112.263 bonds (distance) P-C4' energy: -137.183 flat angles C4'-P-C4' energy: -169.897 flat angles P-C4'-P energy: -96.255 tors. eta vs tors. theta energy: -183.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -2188.836127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.836127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.836127 (E_RNA) where: Base-Base interactions energy: -1525.658 where: short stacking energy: -669.720 Base-Backbone interact. energy: 0.688 local terms energy: -663.866091 where: bonds (distance) C4'-P energy: -150.378 bonds (distance) P-C4' energy: -117.591 flat angles C4'-P-C4' energy: -154.928 flat angles P-C4'-P energy: -73.833 tors. eta vs tors. theta energy: -167.136 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: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1846.243861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.243861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.243861 (E_RNA) where: Base-Base interactions energy: -1278.833 where: short stacking energy: -547.641 Base-Backbone interact. energy: -3.958 local terms energy: -563.452941 where: bonds (distance) C4'-P energy: -104.423 bonds (distance) P-C4' energy: -125.000 flat angles C4'-P-C4' energy: -146.146 flat angles P-C4'-P energy: -69.341 tors. eta vs tors. theta energy: -118.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1517.707455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.707455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.707455 (E_RNA) where: Base-Base interactions energy: -962.952 where: short stacking energy: -464.501 Base-Backbone interact. energy: -3.059 local terms energy: -551.696694 where: bonds (distance) C4'-P energy: -125.712 bonds (distance) P-C4' energy: -135.200 flat angles C4'-P-C4' energy: -140.217 flat angles P-C4'-P energy: -74.037 tors. eta vs tors. theta energy: -76.531 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: 5 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1362.384474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.384474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.384474 (E_RNA) where: Base-Base interactions energy: -883.298 where: short stacking energy: -417.055 Base-Backbone interact. energy: 1.584 local terms energy: -480.671403 where: bonds (distance) C4'-P energy: -121.994 bonds (distance) P-C4' energy: -107.860 flat angles C4'-P-C4' energy: -109.914 flat angles P-C4'-P energy: -85.960 tors. eta vs tors. theta energy: -54.943 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: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2954.057661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.057661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.057661 (E_RNA) where: Base-Base interactions energy: -2079.992 where: short stacking energy: -873.160 Base-Backbone interact. energy: -3.897 local terms energy: -870.169261 where: bonds (distance) C4'-P energy: -163.065 bonds (distance) P-C4' energy: -164.878 flat angles C4'-P-C4' energy: -185.959 flat angles P-C4'-P energy: -136.433 tors. eta vs tors. theta energy: -219.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2802.952821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.952821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.952821 (E_RNA) where: Base-Base interactions energy: -1999.092 where: short stacking energy: -831.056 Base-Backbone interact. energy: -3.444 local terms energy: -800.416273 where: bonds (distance) C4'-P energy: -147.971 bonds (distance) P-C4' energy: -141.761 flat angles C4'-P-C4' energy: -174.833 flat angles P-C4'-P energy: -132.241 tors. eta vs tors. theta energy: -203.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2738.976622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.976622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.976622 (E_RNA) where: Base-Base interactions energy: -1972.134 where: short stacking energy: -836.210 Base-Backbone interact. energy: -3.990 local terms energy: -762.852303 where: bonds (distance) C4'-P energy: -129.471 bonds (distance) P-C4' energy: -145.417 flat angles C4'-P-C4' energy: -165.126 flat angles P-C4'-P energy: -107.032 tors. eta vs tors. theta energy: -215.807 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: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2612.287420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.287420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.287420 (E_RNA) where: Base-Base interactions energy: -1857.732 where: short stacking energy: -794.345 Base-Backbone interact. energy: -3.132 local terms energy: -751.423642 where: bonds (distance) C4'-P energy: -130.622 bonds (distance) P-C4' energy: -137.720 flat angles C4'-P-C4' energy: -159.124 flat angles P-C4'-P energy: -116.290 tors. eta vs tors. theta energy: -207.668 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: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2535.330992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.330992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.330992 (E_RNA) where: Base-Base interactions energy: -1820.216 where: short stacking energy: -771.365 Base-Backbone interact. energy: -1.052 local terms energy: -714.063199 where: bonds (distance) C4'-P energy: -140.809 bonds (distance) P-C4' energy: -109.467 flat angles C4'-P-C4' energy: -164.102 flat angles P-C4'-P energy: -109.049 tors. eta vs tors. theta energy: -190.637 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: 6, replica: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2390.672583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.672583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.672583 (E_RNA) where: Base-Base interactions energy: -1667.212 where: short stacking energy: -737.717 Base-Backbone interact. energy: -4.920 local terms energy: -718.540487 where: bonds (distance) C4'-P energy: -132.789 bonds (distance) P-C4' energy: -126.680 flat angles C4'-P-C4' energy: -160.860 flat angles P-C4'-P energy: -109.836 tors. eta vs tors. theta energy: -188.376 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: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -2153.384805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.384805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.384805 (E_RNA) where: Base-Base interactions energy: -1462.180 where: short stacking energy: -660.104 Base-Backbone interact. energy: -2.484 local terms energy: -688.720490 where: bonds (distance) C4'-P energy: -130.485 bonds (distance) P-C4' energy: -155.691 flat angles C4'-P-C4' energy: -159.148 flat angles P-C4'-P energy: -83.403 tors. eta vs tors. theta energy: -159.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1884.596043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.596043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.596043 (E_RNA) where: Base-Base interactions energy: -1256.955 where: short stacking energy: -548.278 Base-Backbone interact. energy: -0.568 local terms energy: -627.073409 where: bonds (distance) C4'-P energy: -129.737 bonds (distance) P-C4' energy: -156.891 flat angles C4'-P-C4' energy: -142.962 flat angles P-C4'-P energy: -90.791 tors. eta vs tors. theta energy: -106.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1539.629279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.629279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.629279 (E_RNA) where: Base-Base interactions energy: -1013.249 where: short stacking energy: -478.953 Base-Backbone interact. energy: -3.742 local terms energy: -522.638960 where: bonds (distance) C4'-P energy: -109.766 bonds (distance) P-C4' energy: -118.393 flat angles C4'-P-C4' energy: -116.568 flat angles P-C4'-P energy: -94.170 tors. eta vs tors. theta energy: -83.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -1317.834267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.834267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.834267 (E_RNA) where: Base-Base interactions energy: -851.112 where: short stacking energy: -386.648 Base-Backbone interact. energy: 7.321 local terms energy: -474.043863 where: bonds (distance) C4'-P energy: -124.934 bonds (distance) P-C4' energy: -116.197 flat angles C4'-P-C4' energy: -113.467 flat angles P-C4'-P energy: -71.386 tors. eta vs tors. theta energy: -48.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2925.115701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.115701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.115701 (E_RNA) where: Base-Base interactions energy: -2078.648 where: short stacking energy: -884.886 Base-Backbone interact. energy: -4.804 local terms energy: -841.664109 where: bonds (distance) C4'-P energy: -157.810 bonds (distance) P-C4' energy: -148.870 flat angles C4'-P-C4' energy: -175.379 flat angles P-C4'-P energy: -128.916 tors. eta vs tors. theta energy: -230.689 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: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2797.660408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.660408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.660408 (E_RNA) where: Base-Base interactions energy: -1974.851 where: short stacking energy: -845.142 Base-Backbone interact. energy: -2.566 local terms energy: -820.243426 where: bonds (distance) C4'-P energy: -144.039 bonds (distance) P-C4' energy: -161.443 flat angles C4'-P-C4' energy: -178.815 flat angles P-C4'-P energy: -116.684 tors. eta vs tors. theta energy: -219.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2743.033083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.033083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.033083 (E_RNA) where: Base-Base interactions energy: -1940.501 where: short stacking energy: -829.573 Base-Backbone interact. energy: -2.833 local terms energy: -799.698822 where: bonds (distance) C4'-P energy: -138.607 bonds (distance) P-C4' energy: -161.877 flat angles C4'-P-C4' energy: -180.554 flat angles P-C4'-P energy: -119.487 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: 4, replica: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2648.701944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.701944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.701944 (E_RNA) where: Base-Base interactions energy: -1864.602 where: short stacking energy: -833.775 Base-Backbone interact. energy: -2.916 local terms energy: -781.184140 where: bonds (distance) C4'-P energy: -143.535 bonds (distance) P-C4' energy: -153.338 flat angles C4'-P-C4' energy: -177.631 flat angles P-C4'-P energy: -89.141 tors. eta vs tors. theta energy: -217.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2506.115493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.115493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.115493 (E_RNA) where: Base-Base interactions energy: -1783.715 where: short stacking energy: -754.675 Base-Backbone interact. energy: 0.391 local terms energy: -722.791383 where: bonds (distance) C4'-P energy: -129.542 bonds (distance) P-C4' energy: -154.753 flat angles C4'-P-C4' energy: -153.212 flat angles P-C4'-P energy: -102.979 tors. eta vs tors. theta energy: -182.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2367.395075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.395075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.395075 (E_RNA) where: Base-Base interactions energy: -1613.588 where: short stacking energy: -713.894 Base-Backbone interact. energy: -0.044 local terms energy: -753.763100 where: bonds (distance) C4'-P energy: -154.197 bonds (distance) P-C4' energy: -146.443 flat angles C4'-P-C4' energy: -157.022 flat angles P-C4'-P energy: -113.709 tors. eta vs tors. theta energy: -182.392 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: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -2148.415153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.415153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.415153 (E_RNA) where: Base-Base interactions energy: -1443.638 where: short stacking energy: -653.765 Base-Backbone interact. energy: 0.295 local terms energy: -705.072758 where: bonds (distance) C4'-P energy: -126.797 bonds (distance) P-C4' energy: -146.064 flat angles C4'-P-C4' energy: -162.320 flat angles P-C4'-P energy: -104.981 tors. eta vs tors. theta energy: -164.911 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: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1782.524969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.524969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.524969 (E_RNA) where: Base-Base interactions energy: -1191.117 where: short stacking energy: -544.658 Base-Backbone interact. energy: -0.309 local terms energy: -591.098945 where: bonds (distance) C4'-P energy: -130.748 bonds (distance) P-C4' energy: -117.235 flat angles C4'-P-C4' energy: -158.507 flat angles P-C4'-P energy: -74.950 tors. eta vs tors. theta energy: -109.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1700.937735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.937735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.937735 (E_RNA) where: Base-Base interactions energy: -1134.871 where: short stacking energy: -518.854 Base-Backbone interact. energy: 0.638 local terms energy: -566.704665 where: bonds (distance) C4'-P energy: -123.268 bonds (distance) P-C4' energy: -136.202 flat angles C4'-P-C4' energy: -129.104 flat angles P-C4'-P energy: -71.494 tors. eta vs tors. theta energy: -106.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -1293.266238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.266238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.266238 (E_RNA) where: Base-Base interactions energy: -821.496 where: short stacking energy: -388.022 Base-Backbone interact. energy: 0.312 local terms energy: -472.081723 where: bonds (distance) C4'-P energy: -109.935 bonds (distance) P-C4' energy: -124.285 flat angles C4'-P-C4' energy: -120.712 flat angles P-C4'-P energy: -65.271 tors. eta vs tors. theta energy: -51.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2937.685636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.685636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.685636 (E_RNA) where: Base-Base interactions energy: -2075.017 where: short stacking energy: -858.593 Base-Backbone interact. energy: -3.730 local terms energy: -858.939104 where: bonds (distance) C4'-P energy: -161.573 bonds (distance) P-C4' energy: -156.596 flat angles C4'-P-C4' energy: -189.572 flat angles P-C4'-P energy: -113.946 tors. eta vs tors. theta energy: -237.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2828.326676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.326676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.326676 (E_RNA) where: Base-Base interactions energy: -2003.776 where: short stacking energy: -829.694 Base-Backbone interact. energy: -7.079 local terms energy: -817.471567 where: bonds (distance) C4'-P energy: -153.052 bonds (distance) P-C4' energy: -144.958 flat angles C4'-P-C4' energy: -180.869 flat angles P-C4'-P energy: -116.091 tors. eta vs tors. theta energy: -222.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2719.138165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.138165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.138165 (E_RNA) where: Base-Base interactions energy: -1923.942 where: short stacking energy: -817.128 Base-Backbone interact. energy: -3.237 local terms energy: -791.959075 where: bonds (distance) C4'-P energy: -146.293 bonds (distance) P-C4' energy: -164.544 flat angles C4'-P-C4' energy: -162.699 flat angles P-C4'-P energy: -118.301 tors. eta vs tors. theta energy: -200.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2586.639493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.639493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.639493 (E_RNA) where: Base-Base interactions energy: -1849.594 where: short stacking energy: -800.684 Base-Backbone interact. energy: -5.884 local terms energy: -731.161992 where: bonds (distance) C4'-P energy: -116.754 bonds (distance) P-C4' energy: -152.240 flat angles C4'-P-C4' energy: -163.328 flat angles P-C4'-P energy: -112.389 tors. eta vs tors. theta energy: -186.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2583.814026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.814026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.814026 (E_RNA) where: Base-Base interactions energy: -1813.732 where: short stacking energy: -773.075 Base-Backbone interact. energy: -2.823 local terms energy: -767.259663 where: bonds (distance) C4'-P energy: -135.240 bonds (distance) P-C4' energy: -158.239 flat angles C4'-P-C4' energy: -167.787 flat angles P-C4'-P energy: -101.047 tors. eta vs tors. theta energy: -204.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2359.065660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.065660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.065660 (E_RNA) where: Base-Base interactions energy: -1698.938 where: short stacking energy: -708.606 Base-Backbone interact. energy: -3.125 local terms energy: -657.002556 where: bonds (distance) C4'-P energy: -118.644 bonds (distance) P-C4' energy: -129.968 flat angles C4'-P-C4' energy: -155.010 flat angles P-C4'-P energy: -92.896 tors. eta vs tors. theta energy: -160.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -2177.887880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.887880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.887880 (E_RNA) where: Base-Base interactions energy: -1489.273 where: short stacking energy: -638.340 Base-Backbone interact. energy: 3.546 local terms energy: -692.160500 where: bonds (distance) C4'-P energy: -148.374 bonds (distance) P-C4' energy: -150.448 flat angles C4'-P-C4' energy: -145.544 flat angles P-C4'-P energy: -92.401 tors. eta vs tors. theta energy: -155.394 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: 131 Temperature: 1.250000 Total energy: -1870.160534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.160534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.160534 (E_RNA) where: Base-Base interactions energy: -1299.940 where: short stacking energy: -571.310 Base-Backbone interact. energy: -1.642 local terms energy: -568.578665 where: bonds (distance) C4'-P energy: -125.753 bonds (distance) P-C4' energy: -121.505 flat angles C4'-P-C4' energy: -141.531 flat angles P-C4'-P energy: -75.638 tors. eta vs tors. theta energy: -104.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1706.504589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.504589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.504589 (E_RNA) where: Base-Base interactions energy: -1105.141 where: short stacking energy: -513.059 Base-Backbone interact. energy: -0.063 local terms energy: -601.300945 where: bonds (distance) C4'-P energy: -142.343 bonds (distance) P-C4' energy: -137.256 flat angles C4'-P-C4' energy: -127.493 flat angles P-C4'-P energy: -85.681 tors. eta vs tors. theta energy: -108.528 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: 10, replica: 5 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -1292.109875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.109875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.109875 (E_RNA) where: Base-Base interactions energy: -828.247 where: short stacking energy: -381.430 Base-Backbone interact. energy: -2.999 local terms energy: -460.863591 where: bonds (distance) C4'-P energy: -125.501 bonds (distance) P-C4' energy: -122.682 flat angles C4'-P-C4' energy: -123.970 flat angles P-C4'-P energy: -56.619 tors. eta vs tors. theta energy: -32.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2922.658935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.658935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.658935 (E_RNA) where: Base-Base interactions energy: -2072.679 where: short stacking energy: -897.537 Base-Backbone interact. energy: -4.753 local terms energy: -845.227553 where: bonds (distance) C4'-P energy: -160.931 bonds (distance) P-C4' energy: -157.019 flat angles C4'-P-C4' energy: -165.557 flat angles P-C4'-P energy: -124.163 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: 2, replica: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2861.561476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.561476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.561476 (E_RNA) where: Base-Base interactions energy: -2052.993 where: short stacking energy: -843.700 Base-Backbone interact. energy: -5.250 local terms energy: -803.318276 where: bonds (distance) C4'-P energy: -148.137 bonds (distance) P-C4' energy: -159.811 flat angles C4'-P-C4' energy: -170.020 flat angles P-C4'-P energy: -97.270 tors. eta vs tors. theta energy: -228.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2627.825114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.825114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.825114 (E_RNA) where: Base-Base interactions energy: -1844.215 where: short stacking energy: -800.653 Base-Backbone interact. energy: 3.799 local terms energy: -787.408928 where: bonds (distance) C4'-P energy: -147.484 bonds (distance) P-C4' energy: -152.002 flat angles C4'-P-C4' energy: -176.856 flat angles P-C4'-P energy: -116.390 tors. eta vs tors. theta energy: -194.676 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: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2633.362609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.362609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.362609 (E_RNA) where: Base-Base interactions energy: -1905.478 where: short stacking energy: -762.509 Base-Backbone interact. energy: -6.281 local terms energy: -721.603715 where: bonds (distance) C4'-P energy: -140.685 bonds (distance) P-C4' energy: -140.129 flat angles C4'-P-C4' energy: -157.823 flat angles P-C4'-P energy: -99.195 tors. eta vs tors. theta energy: -183.773 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: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2586.686896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.686896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.686896 (E_RNA) where: Base-Base interactions energy: -1817.304 where: short stacking energy: -784.167 Base-Backbone interact. energy: -5.159 local terms energy: -764.223319 where: bonds (distance) C4'-P energy: -132.779 bonds (distance) P-C4' energy: -144.544 flat angles C4'-P-C4' energy: -166.153 flat angles P-C4'-P energy: -104.389 tors. eta vs tors. theta energy: -216.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2346.650951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.650951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.650951 (E_RNA) where: Base-Base interactions energy: -1636.451 where: short stacking energy: -674.724 Base-Backbone interact. energy: -2.571 local terms energy: -707.628715 where: bonds (distance) C4'-P energy: -137.820 bonds (distance) P-C4' energy: -140.677 flat angles C4'-P-C4' energy: -163.585 flat angles P-C4'-P energy: -104.678 tors. eta vs tors. theta energy: -160.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -2160.469251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.469251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.469251 (E_RNA) where: Base-Base interactions energy: -1486.411 where: short stacking energy: -635.595 Base-Backbone interact. energy: 3.136 local terms energy: -677.193741 where: bonds (distance) C4'-P energy: -137.636 bonds (distance) P-C4' energy: -136.608 flat angles C4'-P-C4' energy: -152.909 flat angles P-C4'-P energy: -82.385 tors. eta vs tors. theta energy: -167.656 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: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1921.533005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.533005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.533005 (E_RNA) where: Base-Base interactions energy: -1294.268 where: short stacking energy: -566.705 Base-Backbone interact. energy: 2.589 local terms energy: -629.854237 where: bonds (distance) C4'-P energy: -131.999 bonds (distance) P-C4' energy: -145.781 flat angles C4'-P-C4' energy: -138.601 flat angles P-C4'-P energy: -84.880 tors. eta vs tors. theta energy: -128.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1696.508541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.508541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.508541 (E_RNA) where: Base-Base interactions energy: -1137.327 where: short stacking energy: -496.877 Base-Backbone interact. energy: 0.346 local terms energy: -559.527601 where: bonds (distance) C4'-P energy: -115.954 bonds (distance) P-C4' energy: -146.526 flat angles C4'-P-C4' energy: -118.158 flat angles P-C4'-P energy: -86.089 tors. eta vs tors. theta energy: -92.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1372.429573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.429573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.429573 (E_RNA) where: Base-Base interactions energy: -903.376 where: short stacking energy: -416.202 Base-Backbone interact. energy: 0.998 local terms energy: -470.051836 where: bonds (distance) C4'-P energy: -118.208 bonds (distance) P-C4' energy: -121.555 flat angles C4'-P-C4' energy: -107.449 flat angles P-C4'-P energy: -68.505 tors. eta vs tors. theta energy: -54.334 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: 1, replica: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2934.317307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.317307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.317307 (E_RNA) where: Base-Base interactions energy: -2072.785 where: short stacking energy: -887.090 Base-Backbone interact. energy: -4.387 local terms energy: -857.145895 where: bonds (distance) C4'-P energy: -157.052 bonds (distance) P-C4' energy: -171.645 flat angles C4'-P-C4' energy: -184.036 flat angles P-C4'-P energy: -120.052 tors. eta vs tors. theta energy: -224.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2835.975418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.975418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.975418 (E_RNA) where: Base-Base interactions energy: -2011.334 where: short stacking energy: -848.326 Base-Backbone interact. energy: -2.451 local terms energy: -822.190196 where: bonds (distance) C4'-P energy: -157.287 bonds (distance) P-C4' energy: -156.303 flat angles C4'-P-C4' energy: -190.211 flat angles P-C4'-P energy: -107.154 tors. eta vs tors. theta energy: -211.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2664.039363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.039363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.039363 (E_RNA) where: Base-Base interactions energy: -1867.467 where: short stacking energy: -768.849 Base-Backbone interact. energy: -0.621 local terms energy: -795.951405 where: bonds (distance) C4'-P energy: -153.772 bonds (distance) P-C4' energy: -163.105 flat angles C4'-P-C4' energy: -175.075 flat angles P-C4'-P energy: -114.381 tors. eta vs tors. theta energy: -189.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2615.890227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.890227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.890227 (E_RNA) where: Base-Base interactions energy: -1864.074 where: short stacking energy: -785.312 Base-Backbone interact. energy: -4.046 local terms energy: -747.770436 where: bonds (distance) C4'-P energy: -138.032 bonds (distance) P-C4' energy: -137.624 flat angles C4'-P-C4' energy: -166.286 flat angles P-C4'-P energy: -102.659 tors. eta vs tors. theta energy: -203.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2573.196860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.196860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.196860 (E_RNA) where: Base-Base interactions energy: -1826.936 where: short stacking energy: -791.300 Base-Backbone interact. energy: -2.476 local terms energy: -743.784281 where: bonds (distance) C4'-P energy: -139.931 bonds (distance) P-C4' energy: -123.921 flat angles C4'-P-C4' energy: -167.977 flat angles P-C4'-P energy: -106.103 tors. eta vs tors. theta energy: -205.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2363.695227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.695227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.695227 (E_RNA) where: Base-Base interactions energy: -1639.434 where: short stacking energy: -730.933 Base-Backbone interact. energy: -3.862 local terms energy: -720.399231 where: bonds (distance) C4'-P energy: -132.472 bonds (distance) P-C4' energy: -132.852 flat angles C4'-P-C4' energy: -163.736 flat angles P-C4'-P energy: -117.325 tors. eta vs tors. theta energy: -174.015 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: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -2142.443650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.443650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.443650 (E_RNA) where: Base-Base interactions energy: -1460.935 where: short stacking energy: -640.880 Base-Backbone interact. energy: -3.016 local terms energy: -678.492979 where: bonds (distance) C4'-P energy: -130.574 bonds (distance) P-C4' energy: -138.913 flat angles C4'-P-C4' energy: -157.427 flat angles P-C4'-P energy: -93.097 tors. eta vs tors. theta energy: -158.482 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: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1946.001764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.001764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.001764 (E_RNA) where: Base-Base interactions energy: -1317.200 where: short stacking energy: -581.454 Base-Backbone interact. energy: -3.015 local terms energy: -625.786356 where: bonds (distance) C4'-P energy: -123.311 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -151.441 flat angles P-C4'-P energy: -94.880 tors. eta vs tors. theta energy: -123.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1607.565703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.565703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.565703 (E_RNA) where: Base-Base interactions energy: -1051.875 where: short stacking energy: -474.922 Base-Backbone interact. energy: 2.331 local terms energy: -558.022127 where: bonds (distance) C4'-P energy: -121.962 bonds (distance) P-C4' energy: -156.006 flat angles C4'-P-C4' energy: -121.996 flat angles P-C4'-P energy: -68.675 tors. eta vs tors. theta energy: -89.384 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: 5 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -1403.586738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.586738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.586738 (E_RNA) where: Base-Base interactions energy: -895.261 where: short stacking energy: -412.495 Base-Backbone interact. energy: 0.390 local terms energy: -508.715611 where: bonds (distance) C4'-P energy: -106.200 bonds (distance) P-C4' energy: -119.175 flat angles C4'-P-C4' energy: -134.583 flat angles P-C4'-P energy: -82.220 tors. eta vs tors. theta energy: -66.538 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: 134 Temperature: 0.900000 Total energy: -2962.674476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.674476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.674476 (E_RNA) where: Base-Base interactions energy: -2091.302 where: short stacking energy: -877.680 Base-Backbone interact. energy: -7.138 local terms energy: -864.235005 where: bonds (distance) C4'-P energy: -167.467 bonds (distance) P-C4' energy: -159.474 flat angles C4'-P-C4' energy: -184.372 flat angles P-C4'-P energy: -125.727 tors. eta vs tors. theta energy: -227.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2806.265986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.265986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.265986 (E_RNA) where: Base-Base interactions energy: -1985.768 where: short stacking energy: -837.083 Base-Backbone interact. energy: 0.146 local terms energy: -820.643763 where: bonds (distance) C4'-P energy: -154.313 bonds (distance) P-C4' energy: -156.528 flat angles C4'-P-C4' energy: -180.963 flat angles P-C4'-P energy: -116.789 tors. eta vs tors. theta energy: -212.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2699.137604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.137604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.137604 (E_RNA) where: Base-Base interactions energy: -1916.180 where: short stacking energy: -806.934 Base-Backbone interact. energy: -1.405 local terms energy: -781.552801 where: bonds (distance) C4'-P energy: -140.622 bonds (distance) P-C4' energy: -147.611 flat angles C4'-P-C4' energy: -168.231 flat angles P-C4'-P energy: -133.174 tors. eta vs tors. theta energy: -191.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2667.147774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.147774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.147774 (E_RNA) where: Base-Base interactions energy: -1928.066 where: short stacking energy: -832.404 Base-Backbone interact. energy: -6.941 local terms energy: -732.141326 where: bonds (distance) C4'-P energy: -123.328 bonds (distance) P-C4' energy: -131.794 flat angles C4'-P-C4' energy: -171.452 flat angles P-C4'-P energy: -100.611 tors. eta vs tors. theta energy: -204.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2579.047657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.047657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.047657 (E_RNA) where: Base-Base interactions energy: -1823.083 where: short stacking energy: -769.468 Base-Backbone interact. energy: -3.300 local terms energy: -752.664226 where: bonds (distance) C4'-P energy: -144.148 bonds (distance) P-C4' energy: -130.612 flat angles C4'-P-C4' energy: -159.213 flat angles P-C4'-P energy: -105.429 tors. eta vs tors. theta energy: -213.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2375.098009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.098009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.098009 (E_RNA) where: Base-Base interactions energy: -1645.366 where: short stacking energy: -726.985 Base-Backbone interact. energy: -5.506 local terms energy: -724.225943 where: bonds (distance) C4'-P energy: -115.979 bonds (distance) P-C4' energy: -164.294 flat angles C4'-P-C4' energy: -165.957 flat angles P-C4'-P energy: -90.471 tors. eta vs tors. theta energy: -187.524 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: 134 Temperature: 1.200000 Total energy: -2137.671891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.671891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.671891 (E_RNA) where: Base-Base interactions energy: -1490.139 where: short stacking energy: -669.017 Base-Backbone interact. energy: -2.426 local terms energy: -645.107307 where: bonds (distance) C4'-P energy: -116.233 bonds (distance) P-C4' energy: -118.559 flat angles C4'-P-C4' energy: -146.888 flat angles P-C4'-P energy: -107.510 tors. eta vs tors. theta energy: -155.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1884.193894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.193894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.193894 (E_RNA) where: Base-Base interactions energy: -1266.269 where: short stacking energy: -546.717 Base-Backbone interact. energy: -3.253 local terms energy: -614.671968 where: bonds (distance) C4'-P energy: -154.531 bonds (distance) P-C4' energy: -142.061 flat angles C4'-P-C4' energy: -116.216 flat angles P-C4'-P energy: -94.155 tors. eta vs tors. theta energy: -107.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1637.116856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.116856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.116856 (E_RNA) where: Base-Base interactions energy: -1096.280 where: short stacking energy: -522.034 Base-Backbone interact. energy: -1.621 local terms energy: -539.215723 where: bonds (distance) C4'-P energy: -93.374 bonds (distance) P-C4' energy: -128.866 flat angles C4'-P-C4' energy: -144.312 flat angles P-C4'-P energy: -80.630 tors. eta vs tors. theta energy: -92.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1536.975981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.975981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.975981 (E_RNA) where: Base-Base interactions energy: -1008.047 where: short stacking energy: -441.903 Base-Backbone interact. energy: 1.443 local terms energy: -530.372136 where: bonds (distance) C4'-P energy: -101.980 bonds (distance) P-C4' energy: -133.294 flat angles C4'-P-C4' energy: -134.820 flat angles P-C4'-P energy: -81.204 tors. eta vs tors. theta energy: -79.075 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: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2968.875225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.875225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.875225 (E_RNA) where: Base-Base interactions energy: -2125.907 where: short stacking energy: -894.422 Base-Backbone interact. energy: -8.324 local terms energy: -834.644086 where: bonds (distance) C4'-P energy: -151.778 bonds (distance) P-C4' energy: -151.997 flat angles C4'-P-C4' energy: -179.556 flat angles P-C4'-P energy: -121.354 tors. eta vs tors. theta energy: -229.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2854.055094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.055094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.055094 (E_RNA) where: Base-Base interactions energy: -2045.241 where: short stacking energy: -833.406 Base-Backbone interact. energy: -2.435 local terms energy: -806.378938 where: bonds (distance) C4'-P energy: -135.579 bonds (distance) P-C4' energy: -161.751 flat angles C4'-P-C4' energy: -169.524 flat angles P-C4'-P energy: -129.724 tors. eta vs tors. theta energy: -209.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2699.017652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.017652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.017652 (E_RNA) where: Base-Base interactions energy: -1915.626 where: short stacking energy: -824.796 Base-Backbone interact. energy: -3.917 local terms energy: -779.474631 where: bonds (distance) C4'-P energy: -146.992 bonds (distance) P-C4' energy: -153.895 flat angles C4'-P-C4' energy: -170.775 flat angles P-C4'-P energy: -111.962 tors. eta vs tors. theta energy: -195.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2671.449832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.449832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.449832 (E_RNA) where: Base-Base interactions energy: -1881.408 where: short stacking energy: -843.997 Base-Backbone interact. energy: -3.980 local terms energy: -786.061774 where: bonds (distance) C4'-P energy: -154.159 bonds (distance) P-C4' energy: -149.008 flat angles C4'-P-C4' energy: -164.264 flat angles P-C4'-P energy: -97.939 tors. eta vs tors. theta energy: -220.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2564.862098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.862098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.862098 (E_RNA) where: Base-Base interactions energy: -1840.893 where: short stacking energy: -766.037 Base-Backbone interact. energy: -4.885 local terms energy: -719.084819 where: bonds (distance) C4'-P energy: -120.254 bonds (distance) P-C4' energy: -136.784 flat angles C4'-P-C4' energy: -166.164 flat angles P-C4'-P energy: -95.032 tors. eta vs tors. theta energy: -200.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2238.994737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.994737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.994737 (E_RNA) where: Base-Base interactions energy: -1539.427 where: short stacking energy: -690.419 Base-Backbone interact. energy: -1.960 local terms energy: -697.608436 where: bonds (distance) C4'-P energy: -145.175 bonds (distance) P-C4' energy: -125.395 flat angles C4'-P-C4' energy: -144.118 flat angles P-C4'-P energy: -103.111 tors. eta vs tors. theta energy: -179.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -2235.708512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.708512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.708512 (E_RNA) where: Base-Base interactions energy: -1546.318 where: short stacking energy: -658.640 Base-Backbone interact. energy: 3.203 local terms energy: -692.593620 where: bonds (distance) C4'-P energy: -130.598 bonds (distance) P-C4' energy: -134.473 flat angles C4'-P-C4' energy: -151.847 flat angles P-C4'-P energy: -103.759 tors. eta vs tors. theta energy: -171.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1901.750113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.750113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.750113 (E_RNA) where: Base-Base interactions energy: -1333.144 where: short stacking energy: -574.726 Base-Backbone interact. energy: -4.012 local terms energy: -564.593491 where: bonds (distance) C4'-P energy: -111.083 bonds (distance) P-C4' energy: -124.135 flat angles C4'-P-C4' energy: -142.039 flat angles P-C4'-P energy: -70.643 tors. eta vs tors. theta energy: -116.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1697.767728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.767728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.767728 (E_RNA) where: Base-Base interactions energy: -1131.405 where: short stacking energy: -494.868 Base-Backbone interact. energy: -2.429 local terms energy: -563.933453 where: bonds (distance) C4'-P energy: -123.834 bonds (distance) P-C4' energy: -125.644 flat angles C4'-P-C4' energy: -145.515 flat angles P-C4'-P energy: -72.535 tors. eta vs tors. theta energy: -96.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -1497.441191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.441191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.441191 (E_RNA) where: Base-Base interactions energy: -996.224 where: short stacking energy: -418.297 Base-Backbone interact. energy: -3.747 local terms energy: -497.469988 where: bonds (distance) C4'-P energy: -126.111 bonds (distance) P-C4' energy: -131.424 flat angles C4'-P-C4' energy: -112.043 flat angles P-C4'-P energy: -61.421 tors. eta vs tors. theta energy: -66.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2973.371649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.371649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.371649 (E_RNA) where: Base-Base interactions energy: -2108.916 where: short stacking energy: -878.637 Base-Backbone interact. energy: -3.832 local terms energy: -860.623706 where: bonds (distance) C4'-P energy: -172.307 bonds (distance) P-C4' energy: -152.096 flat angles C4'-P-C4' energy: -185.191 flat angles P-C4'-P energy: -121.554 tors. eta vs tors. theta energy: -229.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2853.293194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.293194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.293194 (E_RNA) where: Base-Base interactions energy: -2011.445 where: short stacking energy: -836.661 Base-Backbone interact. energy: -3.709 local terms energy: -838.139036 where: bonds (distance) C4'-P energy: -159.006 bonds (distance) P-C4' energy: -162.326 flat angles C4'-P-C4' energy: -184.484 flat angles P-C4'-P energy: -121.417 tors. eta vs tors. theta energy: -210.906 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: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2669.875412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.875412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.875412 (E_RNA) where: Base-Base interactions energy: -1891.046 where: short stacking energy: -800.400 Base-Backbone interact. energy: -1.751 local terms energy: -777.078349 where: bonds (distance) C4'-P energy: -148.363 bonds (distance) P-C4' energy: -144.788 flat angles C4'-P-C4' energy: -168.150 flat angles P-C4'-P energy: -124.698 tors. eta vs tors. theta energy: -191.078 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: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2602.103022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.103022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.103022 (E_RNA) where: Base-Base interactions energy: -1821.286 where: short stacking energy: -802.644 Base-Backbone interact. energy: -3.183 local terms energy: -777.633549 where: bonds (distance) C4'-P energy: -130.453 bonds (distance) P-C4' energy: -161.925 flat angles C4'-P-C4' energy: -170.757 flat angles P-C4'-P energy: -101.933 tors. eta vs tors. theta energy: -212.567 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: 5, replica: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2574.271300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.271300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.271300 (E_RNA) where: Base-Base interactions energy: -1828.613 where: short stacking energy: -784.665 Base-Backbone interact. energy: -5.195 local terms energy: -740.463287 where: bonds (distance) C4'-P energy: -139.118 bonds (distance) P-C4' energy: -152.629 flat angles C4'-P-C4' energy: -162.719 flat angles P-C4'-P energy: -80.275 tors. eta vs tors. theta energy: -205.723 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: 4 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2260.922685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.922685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.922685 (E_RNA) where: Base-Base interactions energy: -1548.656 where: short stacking energy: -701.815 Base-Backbone interact. energy: -2.460 local terms energy: -709.805990 where: bonds (distance) C4'-P energy: -126.233 bonds (distance) P-C4' energy: -128.340 flat angles C4'-P-C4' energy: -154.640 flat angles P-C4'-P energy: -120.365 tors. eta vs tors. theta energy: -180.228 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: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -2274.323456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.323456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.323456 (E_RNA) where: Base-Base interactions energy: -1586.730 where: short stacking energy: -681.352 Base-Backbone interact. energy: 1.585 local terms energy: -689.178418 where: bonds (distance) C4'-P energy: -130.299 bonds (distance) P-C4' energy: -139.658 flat angles C4'-P-C4' energy: -159.197 flat angles P-C4'-P energy: -87.412 tors. eta vs tors. theta energy: -172.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -2007.821455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.821455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.821455 (E_RNA) where: Base-Base interactions energy: -1397.223 where: short stacking energy: -631.529 Base-Backbone interact. energy: -2.229 local terms energy: -608.369073 where: bonds (distance) C4'-P energy: -94.598 bonds (distance) P-C4' energy: -124.770 flat angles C4'-P-C4' energy: -148.091 flat angles P-C4'-P energy: -94.191 tors. eta vs tors. theta energy: -146.718 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: 6 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1659.513337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.513337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.513337 (E_RNA) where: Base-Base interactions energy: -1123.751 where: short stacking energy: -508.237 Base-Backbone interact. energy: -0.998 local terms energy: -534.764417 where: bonds (distance) C4'-P energy: -107.244 bonds (distance) P-C4' energy: -123.552 flat angles C4'-P-C4' energy: -134.145 flat angles P-C4'-P energy: -81.859 tors. eta vs tors. theta energy: -87.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -1525.957794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.957794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.957794 (E_RNA) where: Base-Base interactions energy: -993.775 where: short stacking energy: -439.280 Base-Backbone interact. energy: 5.430 local terms energy: -537.612960 where: bonds (distance) C4'-P energy: -132.117 bonds (distance) P-C4' energy: -124.192 flat angles C4'-P-C4' energy: -127.013 flat angles P-C4'-P energy: -83.706 tors. eta vs tors. theta energy: -70.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2988.761701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.761701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.761701 (E_RNA) where: Base-Base interactions energy: -2129.928 where: short stacking energy: -911.794 Base-Backbone interact. energy: -6.487 local terms energy: -852.346676 where: bonds (distance) C4'-P energy: -146.415 bonds (distance) P-C4' energy: -177.149 flat angles C4'-P-C4' energy: -174.011 flat angles P-C4'-P energy: -118.535 tors. eta vs tors. theta energy: -236.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2890.701259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.701259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.701259 (E_RNA) where: Base-Base interactions energy: -2078.484 where: short stacking energy: -830.193 Base-Backbone interact. energy: -3.479 local terms energy: -808.738742 where: bonds (distance) C4'-P energy: -167.066 bonds (distance) P-C4' energy: -161.066 flat angles C4'-P-C4' energy: -170.361 flat angles P-C4'-P energy: -99.496 tors. eta vs tors. theta energy: -210.750 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: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2694.713602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.713602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.713602 (E_RNA) where: Base-Base interactions energy: -1912.686 where: short stacking energy: -798.517 Base-Backbone interact. energy: -3.815 local terms energy: -778.212747 where: bonds (distance) C4'-P energy: -146.792 bonds (distance) P-C4' energy: -145.063 flat angles C4'-P-C4' energy: -177.113 flat angles P-C4'-P energy: -124.530 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: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2668.045277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.045277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.045277 (E_RNA) where: Base-Base interactions energy: -1857.726 where: short stacking energy: -822.280 Base-Backbone interact. energy: 2.782 local terms energy: -813.101196 where: bonds (distance) C4'-P energy: -159.961 bonds (distance) P-C4' energy: -148.392 flat angles C4'-P-C4' energy: -174.245 flat angles P-C4'-P energy: -112.802 tors. eta vs tors. theta energy: -217.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2493.475244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.475244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.475244 (E_RNA) where: Base-Base interactions energy: -1732.872 where: short stacking energy: -778.084 Base-Backbone interact. energy: -4.942 local terms energy: -755.660555 where: bonds (distance) C4'-P energy: -132.344 bonds (distance) P-C4' energy: -145.337 flat angles C4'-P-C4' energy: -173.976 flat angles P-C4'-P energy: -110.021 tors. eta vs tors. theta energy: -193.983 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: 6, replica: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2344.762597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.762597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.762597 (E_RNA) where: Base-Base interactions energy: -1648.314 where: short stacking energy: -750.358 Base-Backbone interact. energy: -1.508 local terms energy: -694.940485 where: bonds (distance) C4'-P energy: -130.512 bonds (distance) P-C4' energy: -137.947 flat angles C4'-P-C4' energy: -149.493 flat angles P-C4'-P energy: -94.092 tors. eta vs tors. theta energy: -182.897 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: 4 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -2138.366061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.366061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.366061 (E_RNA) where: Base-Base interactions energy: -1445.806 where: short stacking energy: -652.924 Base-Backbone interact. energy: 0.704 local terms energy: -693.263636 where: bonds (distance) C4'-P energy: -147.117 bonds (distance) P-C4' energy: -133.369 flat angles C4'-P-C4' energy: -159.472 flat angles P-C4'-P energy: -96.508 tors. eta vs tors. theta energy: -156.798 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: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -2004.103618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.103618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.103618 (E_RNA) where: Base-Base interactions energy: -1421.328 where: short stacking energy: -600.665 Base-Backbone interact. energy: 3.044 local terms energy: -585.819959 where: bonds (distance) C4'-P energy: -118.989 bonds (distance) P-C4' energy: -132.330 flat angles C4'-P-C4' energy: -124.911 flat angles P-C4'-P energy: -72.259 tors. eta vs tors. theta energy: -137.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1674.726396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.726396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.726396 (E_RNA) where: Base-Base interactions energy: -1116.200 where: short stacking energy: -501.351 Base-Backbone interact. energy: 4.356 local terms energy: -562.882040 where: bonds (distance) C4'-P energy: -108.917 bonds (distance) P-C4' energy: -142.127 flat angles C4'-P-C4' energy: -134.193 flat angles P-C4'-P energy: -80.912 tors. eta vs tors. theta energy: -96.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1502.110273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.110273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.110273 (E_RNA) where: Base-Base interactions energy: -987.528 where: short stacking energy: -441.104 Base-Backbone interact. energy: 0.436 local terms energy: -515.018232 where: bonds (distance) C4'-P energy: -114.750 bonds (distance) P-C4' energy: -123.279 flat angles C4'-P-C4' energy: -123.839 flat angles P-C4'-P energy: -83.379 tors. eta vs tors. theta energy: -69.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2956.405828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.405828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.405828 (E_RNA) where: Base-Base interactions energy: -2106.424 where: short stacking energy: -895.731 Base-Backbone interact. energy: -2.012 local terms energy: -847.969732 where: bonds (distance) C4'-P energy: -147.387 bonds (distance) P-C4' energy: -165.279 flat angles C4'-P-C4' energy: -181.989 flat angles P-C4'-P energy: -124.604 tors. eta vs tors. theta energy: -228.712 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: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2856.448609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.448609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.448609 (E_RNA) where: Base-Base interactions energy: -2014.945 where: short stacking energy: -804.942 Base-Backbone interact. energy: -7.979 local terms energy: -833.524092 where: bonds (distance) C4'-P energy: -154.519 bonds (distance) P-C4' energy: -160.110 flat angles C4'-P-C4' energy: -183.913 flat angles P-C4'-P energy: -127.064 tors. eta vs tors. theta energy: -207.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2694.151869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.151869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.151869 (E_RNA) where: Base-Base interactions energy: -1913.468 where: short stacking energy: -826.981 Base-Backbone interact. energy: -4.395 local terms energy: -776.288133 where: bonds (distance) C4'-P energy: -132.878 bonds (distance) P-C4' energy: -163.181 flat angles C4'-P-C4' energy: -165.179 flat angles P-C4'-P energy: -114.570 tors. eta vs tors. theta energy: -200.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2623.408898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.408898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.408898 (E_RNA) where: Base-Base interactions energy: -1846.873 where: short stacking energy: -802.894 Base-Backbone interact. energy: -2.647 local terms energy: -773.888412 where: bonds (distance) C4'-P energy: -134.462 bonds (distance) P-C4' energy: -152.068 flat angles C4'-P-C4' energy: -160.806 flat angles P-C4'-P energy: -110.539 tors. eta vs tors. theta energy: -216.013 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: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2521.750524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.750524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.750524 (E_RNA) where: Base-Base interactions energy: -1755.472 where: short stacking energy: -770.861 Base-Backbone interact. energy: -5.129 local terms energy: -761.149698 where: bonds (distance) C4'-P energy: -131.411 bonds (distance) P-C4' energy: -137.123 flat angles C4'-P-C4' energy: -172.054 flat angles P-C4'-P energy: -118.152 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: 6, replica: 9 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2362.634175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.634175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.634175 (E_RNA) where: Base-Base interactions energy: -1647.087 where: short stacking energy: -736.228 Base-Backbone interact. energy: -5.013 local terms energy: -710.534872 where: bonds (distance) C4'-P energy: -133.964 bonds (distance) P-C4' energy: -146.805 flat angles C4'-P-C4' energy: -158.300 flat angles P-C4'-P energy: -92.473 tors. eta vs tors. theta energy: -178.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -2158.479136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.479136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.479136 (E_RNA) where: Base-Base interactions energy: -1468.979 where: short stacking energy: -634.641 Base-Backbone interact. energy: -0.780 local terms energy: -688.720278 where: bonds (distance) C4'-P energy: -140.622 bonds (distance) P-C4' energy: -147.531 flat angles C4'-P-C4' energy: -155.088 flat angles P-C4'-P energy: -83.338 tors. eta vs tors. theta energy: -162.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -2044.116631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.116631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.116631 (E_RNA) where: Base-Base interactions energy: -1432.486 where: short stacking energy: -578.160 Base-Backbone interact. energy: 14.889 local terms energy: -626.520020 where: bonds (distance) C4'-P energy: -128.814 bonds (distance) P-C4' energy: -131.582 flat angles C4'-P-C4' energy: -157.959 flat angles P-C4'-P energy: -90.420 tors. eta vs tors. theta energy: -117.745 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: 6 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1620.954667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.954667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.954667 (E_RNA) where: Base-Base interactions energy: -1070.070 where: short stacking energy: -498.329 Base-Backbone interact. energy: 0.493 local terms energy: -551.377060 where: bonds (distance) C4'-P energy: -123.046 bonds (distance) P-C4' energy: -139.041 flat angles C4'-P-C4' energy: -113.680 flat angles P-C4'-P energy: -78.203 tors. eta vs tors. theta energy: -97.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1607.693759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.693759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.693759 (E_RNA) where: Base-Base interactions energy: -1115.804 where: short stacking energy: -503.844 Base-Backbone interact. energy: 4.658 local terms energy: -496.547968 where: bonds (distance) C4'-P energy: -98.433 bonds (distance) P-C4' energy: -106.610 flat angles C4'-P-C4' energy: -130.658 flat angles P-C4'-P energy: -78.298 tors. eta vs tors. theta energy: -82.549 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: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2959.798228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.798228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.798228 (E_RNA) where: Base-Base interactions energy: -2083.916 where: short stacking energy: -886.856 Base-Backbone interact. energy: -4.008 local terms energy: -871.874009 where: bonds (distance) C4'-P energy: -158.231 bonds (distance) P-C4' energy: -146.314 flat angles C4'-P-C4' energy: -194.389 flat angles P-C4'-P energy: -126.536 tors. eta vs tors. theta energy: -246.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2862.925911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.925911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.925911 (E_RNA) where: Base-Base interactions energy: -2041.804 where: short stacking energy: -838.178 Base-Backbone interact. energy: -7.230 local terms energy: -813.891847 where: bonds (distance) C4'-P energy: -157.315 bonds (distance) P-C4' energy: -151.849 flat angles C4'-P-C4' energy: -175.112 flat angles P-C4'-P energy: -122.552 tors. eta vs tors. theta energy: -207.064 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: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2704.895209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.895209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.895209 (E_RNA) where: Base-Base interactions energy: -1916.638 where: short stacking energy: -815.932 Base-Backbone interact. energy: 1.606 local terms energy: -789.863705 where: bonds (distance) C4'-P energy: -164.062 bonds (distance) P-C4' energy: -146.800 flat angles C4'-P-C4' energy: -173.977 flat angles P-C4'-P energy: -96.713 tors. eta vs tors. theta energy: -208.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2690.015160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.015160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.015160 (E_RNA) where: Base-Base interactions energy: -1865.401 where: short stacking energy: -810.635 Base-Backbone interact. energy: -1.282 local terms energy: -823.331886 where: bonds (distance) C4'-P energy: -140.503 bonds (distance) P-C4' energy: -155.342 flat angles C4'-P-C4' energy: -182.434 flat angles P-C4'-P energy: -122.822 tors. eta vs tors. theta energy: -222.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2522.774513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.774513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.774513 (E_RNA) where: Base-Base interactions energy: -1766.066 where: short stacking energy: -724.402 Base-Backbone interact. energy: -2.284 local terms energy: -754.424516 where: bonds (distance) C4'-P energy: -132.641 bonds (distance) P-C4' energy: -165.525 flat angles C4'-P-C4' energy: -166.604 flat angles P-C4'-P energy: -109.792 tors. eta vs tors. theta energy: -179.863 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: 9 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2330.099978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.099978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.099978 (E_RNA) where: Base-Base interactions energy: -1632.437 where: short stacking energy: -717.440 Base-Backbone interact. energy: -0.698 local terms energy: -696.964500 where: bonds (distance) C4'-P energy: -140.170 bonds (distance) P-C4' energy: -147.432 flat angles C4'-P-C4' energy: -145.787 flat angles P-C4'-P energy: -101.267 tors. eta vs tors. theta energy: -162.308 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: 139 Temperature: 1.200000 Total energy: -2145.713656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.713656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.713656 (E_RNA) where: Base-Base interactions energy: -1480.551 where: short stacking energy: -674.243 Base-Backbone interact. energy: 0.492 local terms energy: -665.654311 where: bonds (distance) C4'-P energy: -143.127 bonds (distance) P-C4' energy: -119.351 flat angles C4'-P-C4' energy: -136.019 flat angles P-C4'-P energy: -98.709 tors. eta vs tors. theta energy: -168.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -2036.920238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.920238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.920238 (E_RNA) where: Base-Base interactions energy: -1402.166 where: short stacking energy: -585.267 Base-Backbone interact. energy: 3.751 local terms energy: -638.505282 where: bonds (distance) C4'-P energy: -133.201 bonds (distance) P-C4' energy: -138.760 flat angles C4'-P-C4' energy: -150.601 flat angles P-C4'-P energy: -83.316 tors. eta vs tors. theta energy: -132.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1629.833428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.833428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.833428 (E_RNA) where: Base-Base interactions energy: -1061.574 where: short stacking energy: -488.449 Base-Backbone interact. energy: -0.898 local terms energy: -567.361178 where: bonds (distance) C4'-P energy: -112.969 bonds (distance) P-C4' energy: -137.499 flat angles C4'-P-C4' energy: -142.414 flat angles P-C4'-P energy: -85.676 tors. eta vs tors. theta energy: -88.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1527.718722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.718722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.718722 (E_RNA) where: Base-Base interactions energy: -1004.168 where: short stacking energy: -449.510 Base-Backbone interact. energy: 3.169 local terms energy: -526.719270 where: bonds (distance) C4'-P energy: -114.655 bonds (distance) P-C4' energy: -117.654 flat angles C4'-P-C4' energy: -135.699 flat angles P-C4'-P energy: -80.631 tors. eta vs tors. theta energy: -78.080 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: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2965.482797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.482797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.482797 (E_RNA) where: Base-Base interactions energy: -2136.021 where: short stacking energy: -890.439 Base-Backbone interact. energy: 1.600 local terms energy: -831.062451 where: bonds (distance) C4'-P energy: -151.359 bonds (distance) P-C4' energy: -141.376 flat angles C4'-P-C4' energy: -186.956 flat angles P-C4'-P energy: -125.060 tors. eta vs tors. theta energy: -226.311 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: 2, replica: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2849.925356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.925356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.925356 (E_RNA) where: Base-Base interactions energy: -2022.555 where: short stacking energy: -816.408 Base-Backbone interact. energy: -7.816 local terms energy: -819.554186 where: bonds (distance) C4'-P energy: -156.912 bonds (distance) P-C4' energy: -164.392 flat angles C4'-P-C4' energy: -175.673 flat angles P-C4'-P energy: -108.515 tors. eta vs tors. theta energy: -214.063 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: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2734.358316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.358316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.358316 (E_RNA) where: Base-Base interactions energy: -1932.194 where: short stacking energy: -824.830 Base-Backbone interact. energy: 0.385 local terms energy: -802.549675 where: bonds (distance) C4'-P energy: -150.017 bonds (distance) P-C4' energy: -160.238 flat angles C4'-P-C4' energy: -174.859 flat angles P-C4'-P energy: -103.752 tors. eta vs tors. theta energy: -213.684 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: 4, replica: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2649.176528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.176528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.176528 (E_RNA) where: Base-Base interactions energy: -1857.102 where: short stacking energy: -797.686 Base-Backbone interact. energy: -5.633 local terms energy: -786.441548 where: bonds (distance) C4'-P energy: -133.991 bonds (distance) P-C4' energy: -156.614 flat angles C4'-P-C4' energy: -171.712 flat angles P-C4'-P energy: -106.606 tors. eta vs tors. theta energy: -217.518 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: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2489.516535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.516535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.516535 (E_RNA) where: Base-Base interactions energy: -1759.189 where: short stacking energy: -753.929 Base-Backbone interact. energy: -6.483 local terms energy: -723.844582 where: bonds (distance) C4'-P energy: -134.965 bonds (distance) P-C4' energy: -150.437 flat angles C4'-P-C4' energy: -144.933 flat angles P-C4'-P energy: -103.377 tors. eta vs tors. theta energy: -190.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2329.750162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.750162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.750162 (E_RNA) where: Base-Base interactions energy: -1621.830 where: short stacking energy: -738.923 Base-Backbone interact. energy: 0.188 local terms energy: -708.108240 where: bonds (distance) C4'-P energy: -147.244 bonds (distance) P-C4' energy: -149.067 flat angles C4'-P-C4' energy: -160.438 flat angles P-C4'-P energy: -77.316 tors. eta vs tors. theta energy: -174.043 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: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2177.405603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.405603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.405603 (E_RNA) where: Base-Base interactions energy: -1491.656 where: short stacking energy: -643.592 Base-Backbone interact. energy: 0.455 local terms energy: -686.204062 where: bonds (distance) C4'-P energy: -138.018 bonds (distance) P-C4' energy: -130.206 flat angles C4'-P-C4' energy: -165.823 flat angles P-C4'-P energy: -92.308 tors. eta vs tors. theta energy: -159.849 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: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1951.686984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.686984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.686984 (E_RNA) where: Base-Base interactions energy: -1330.629 where: short stacking energy: -568.171 Base-Backbone interact. energy: 1.097 local terms energy: -622.154892 where: bonds (distance) C4'-P energy: -137.160 bonds (distance) P-C4' energy: -132.884 flat angles C4'-P-C4' energy: -150.662 flat angles P-C4'-P energy: -83.419 tors. eta vs tors. theta energy: -118.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1622.362603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.362603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.362603 (E_RNA) where: Base-Base interactions energy: -1055.643 where: short stacking energy: -489.849 Base-Backbone interact. energy: -2.624 local terms energy: -564.095227 where: bonds (distance) C4'-P energy: -124.335 bonds (distance) P-C4' energy: -140.087 flat angles C4'-P-C4' energy: -130.197 flat angles P-C4'-P energy: -76.601 tors. eta vs tors. theta energy: -92.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1521.715678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.715678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.715678 (E_RNA) where: Base-Base interactions energy: -984.847 where: short stacking energy: -450.861 Base-Backbone interact. energy: -1.935 local terms energy: -534.934055 where: bonds (distance) C4'-P energy: -115.414 bonds (distance) P-C4' energy: -137.622 flat angles C4'-P-C4' energy: -121.812 flat angles P-C4'-P energy: -77.530 tors. eta vs tors. theta energy: -82.557 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: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2996.531382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.531382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.531382 (E_RNA) where: Base-Base interactions energy: -2152.126 where: short stacking energy: -911.529 Base-Backbone interact. energy: -3.980 local terms energy: -840.425756 where: bonds (distance) C4'-P energy: -157.593 bonds (distance) P-C4' energy: -159.720 flat angles C4'-P-C4' energy: -172.659 flat angles P-C4'-P energy: -117.449 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: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2844.856720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.856720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.856720 (E_RNA) where: Base-Base interactions energy: -2029.481 where: short stacking energy: -829.700 Base-Backbone interact. energy: -4.676 local terms energy: -810.699845 where: bonds (distance) C4'-P energy: -167.351 bonds (distance) P-C4' energy: -146.844 flat angles C4'-P-C4' energy: -176.192 flat angles P-C4'-P energy: -109.227 tors. eta vs tors. theta energy: -211.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2726.881651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.881651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.881651 (E_RNA) where: Base-Base interactions energy: -1910.436 where: short stacking energy: -794.670 Base-Backbone interact. energy: -3.667 local terms energy: -812.778375 where: bonds (distance) C4'-P energy: -141.632 bonds (distance) P-C4' energy: -160.375 flat angles C4'-P-C4' energy: -177.240 flat angles P-C4'-P energy: -123.542 tors. eta vs tors. theta energy: -209.989 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: 141 Temperature: 1.050000 Total energy: -2641.131864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.131864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.131864 (E_RNA) where: Base-Base interactions energy: -1878.518 where: short stacking energy: -792.411 Base-Backbone interact. energy: -0.263 local terms energy: -762.350303 where: bonds (distance) C4'-P energy: -130.425 bonds (distance) P-C4' energy: -151.311 flat angles C4'-P-C4' energy: -160.050 flat angles P-C4'-P energy: -111.793 tors. eta vs tors. theta energy: -208.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2449.979530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.979530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.979530 (E_RNA) where: Base-Base interactions energy: -1731.617 where: short stacking energy: -754.287 Base-Backbone interact. energy: 5.122 local terms energy: -723.484981 where: bonds (distance) C4'-P energy: -140.789 bonds (distance) P-C4' energy: -146.661 flat angles C4'-P-C4' energy: -159.554 flat angles P-C4'-P energy: -88.099 tors. eta vs tors. theta energy: -188.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2409.729681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.729681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.729681 (E_RNA) where: Base-Base interactions energy: -1687.044 where: short stacking energy: -723.658 Base-Backbone interact. energy: -2.187 local terms energy: -720.499270 where: bonds (distance) C4'-P energy: -137.040 bonds (distance) P-C4' energy: -148.766 flat angles C4'-P-C4' energy: -159.709 flat angles P-C4'-P energy: -103.658 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: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -2212.989890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.989890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.989890 (E_RNA) where: Base-Base interactions energy: -1518.417 where: short stacking energy: -650.735 Base-Backbone interact. energy: -2.408 local terms energy: -692.165257 where: bonds (distance) C4'-P energy: -139.239 bonds (distance) P-C4' energy: -137.366 flat angles C4'-P-C4' energy: -158.033 flat angles P-C4'-P energy: -88.826 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: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -2034.552784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.552784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.552784 (E_RNA) where: Base-Base interactions energy: -1398.843 where: short stacking energy: -589.685 Base-Backbone interact. energy: 1.199 local terms energy: -636.908881 where: bonds (distance) C4'-P energy: -121.569 bonds (distance) P-C4' energy: -145.919 flat angles C4'-P-C4' energy: -148.658 flat angles P-C4'-P energy: -88.817 tors. eta vs tors. theta energy: -131.946 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: 9, replica: 6 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1632.464349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.464349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.464349 (E_RNA) where: Base-Base interactions energy: -1063.734 where: short stacking energy: -504.310 Base-Backbone interact. energy: 2.050 local terms energy: -570.780898 where: bonds (distance) C4'-P energy: -114.410 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -147.896 flat angles P-C4'-P energy: -78.780 tors. eta vs tors. theta energy: -91.302 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: 5 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1515.962613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.962613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.962613 (E_RNA) where: Base-Base interactions energy: -1009.838 where: short stacking energy: -456.446 Base-Backbone interact. energy: -3.321 local terms energy: -502.802958 where: bonds (distance) C4'-P energy: -104.932 bonds (distance) P-C4' energy: -125.750 flat angles C4'-P-C4' energy: -120.820 flat angles P-C4'-P energy: -73.450 tors. eta vs tors. theta energy: -77.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -3001.344632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.344632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.344632 (E_RNA) where: Base-Base interactions energy: -2118.745 where: short stacking energy: -896.416 Base-Backbone interact. energy: -4.795 local terms energy: -877.804538 where: bonds (distance) C4'-P energy: -171.291 bonds (distance) P-C4' energy: -159.518 flat angles C4'-P-C4' energy: -194.541 flat angles P-C4'-P energy: -114.844 tors. eta vs tors. theta energy: -237.610 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: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2846.084929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.084929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.084929 (E_RNA) where: Base-Base interactions energy: -2035.973 where: short stacking energy: -809.365 Base-Backbone interact. energy: -8.017 local terms energy: -802.094505 where: bonds (distance) C4'-P energy: -155.337 bonds (distance) P-C4' energy: -151.851 flat angles C4'-P-C4' energy: -175.042 flat angles P-C4'-P energy: -114.362 tors. eta vs tors. theta energy: -205.502 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: 3, replica: 10 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2712.429927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.429927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.429927 (E_RNA) where: Base-Base interactions energy: -1918.522 where: short stacking energy: -802.171 Base-Backbone interact. energy: -5.945 local terms energy: -787.962692 where: bonds (distance) C4'-P energy: -135.119 bonds (distance) P-C4' energy: -154.424 flat angles C4'-P-C4' energy: -167.927 flat angles P-C4'-P energy: -127.760 tors. eta vs tors. theta energy: -202.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2676.983160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.983160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.983160 (E_RNA) where: Base-Base interactions energy: -1893.011 where: short stacking energy: -807.162 Base-Backbone interact. energy: -2.096 local terms energy: -781.876064 where: bonds (distance) C4'-P energy: -146.445 bonds (distance) P-C4' energy: -153.038 flat angles C4'-P-C4' energy: -162.068 flat angles P-C4'-P energy: -96.576 tors. eta vs tors. theta energy: -223.750 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: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2422.845058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.845058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.845058 (E_RNA) where: Base-Base interactions energy: -1698.787 where: short stacking energy: -715.335 Base-Backbone interact. energy: -0.524 local terms energy: -723.533538 where: bonds (distance) C4'-P energy: -130.337 bonds (distance) P-C4' energy: -143.468 flat angles C4'-P-C4' energy: -175.466 flat angles P-C4'-P energy: -102.906 tors. eta vs tors. theta energy: -171.356 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: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2282.522438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.522438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.522438 (E_RNA) where: Base-Base interactions energy: -1582.978 where: short stacking energy: -691.215 Base-Backbone interact. energy: 2.452 local terms energy: -701.996198 where: bonds (distance) C4'-P energy: -149.067 bonds (distance) P-C4' energy: -130.792 flat angles C4'-P-C4' energy: -167.076 flat angles P-C4'-P energy: -89.287 tors. eta vs tors. theta energy: -165.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2103.538010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.538010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.538010 (E_RNA) where: Base-Base interactions energy: -1429.976 where: short stacking energy: -636.975 Base-Backbone interact. energy: -2.310 local terms energy: -671.252051 where: bonds (distance) C4'-P energy: -119.546 bonds (distance) P-C4' energy: -138.477 flat angles C4'-P-C4' energy: -146.982 flat angles P-C4'-P energy: -114.745 tors. eta vs tors. theta energy: -151.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -2158.062252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.062252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.062252 (E_RNA) where: Base-Base interactions energy: -1508.931 where: short stacking energy: -637.225 Base-Backbone interact. energy: 2.956 local terms energy: -652.087250 where: bonds (distance) C4'-P energy: -130.079 bonds (distance) P-C4' energy: -135.167 flat angles C4'-P-C4' energy: -146.645 flat angles P-C4'-P energy: -92.931 tors. eta vs tors. theta energy: -147.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1607.701546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.701546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.701546 (E_RNA) where: Base-Base interactions energy: -1064.192 where: short stacking energy: -495.230 Base-Backbone interact. energy: 1.725 local terms energy: -545.234653 where: bonds (distance) C4'-P energy: -110.835 bonds (distance) P-C4' energy: -146.179 flat angles C4'-P-C4' energy: -136.149 flat angles P-C4'-P energy: -84.609 tors. eta vs tors. theta energy: -67.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1498.626222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.626222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.626222 (E_RNA) where: Base-Base interactions energy: -995.484 where: short stacking energy: -430.216 Base-Backbone interact. energy: 1.314 local terms energy: -504.456669 where: bonds (distance) C4'-P energy: -111.915 bonds (distance) P-C4' energy: -131.438 flat angles C4'-P-C4' energy: -136.885 flat angles P-C4'-P energy: -58.730 tors. eta vs tors. theta energy: -65.489 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: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -3008.502352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.502352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.502352 (E_RNA) where: Base-Base interactions energy: -2147.620 where: short stacking energy: -891.167 Base-Backbone interact. energy: -3.833 local terms energy: -857.049557 where: bonds (distance) C4'-P energy: -164.107 bonds (distance) P-C4' energy: -164.443 flat angles C4'-P-C4' energy: -175.853 flat angles P-C4'-P energy: -111.460 tors. eta vs tors. theta energy: -241.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2833.956448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.956448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.956448 (E_RNA) where: Base-Base interactions energy: -2003.417 where: short stacking energy: -818.480 Base-Backbone interact. energy: -5.185 local terms energy: -825.354749 where: bonds (distance) C4'-P energy: -147.515 bonds (distance) P-C4' energy: -164.627 flat angles C4'-P-C4' energy: -177.273 flat angles P-C4'-P energy: -121.639 tors. eta vs tors. theta energy: -214.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2744.017058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.017058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.017058 (E_RNA) where: Base-Base interactions energy: -1940.425 where: short stacking energy: -818.968 Base-Backbone interact. energy: 0.545 local terms energy: -804.138037 where: bonds (distance) C4'-P energy: -146.607 bonds (distance) P-C4' energy: -144.644 flat angles C4'-P-C4' energy: -185.776 flat angles P-C4'-P energy: -120.996 tors. eta vs tors. theta energy: -206.114 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: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2697.611841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.611841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.611841 (E_RNA) where: Base-Base interactions energy: -1925.192 where: short stacking energy: -821.356 Base-Backbone interact. energy: -2.076 local terms energy: -770.344079 where: bonds (distance) C4'-P energy: -128.591 bonds (distance) P-C4' energy: -148.757 flat angles C4'-P-C4' energy: -175.037 flat angles P-C4'-P energy: -98.313 tors. eta vs tors. theta energy: -219.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2421.296740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.296740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.296740 (E_RNA) where: Base-Base interactions energy: -1704.099 where: short stacking energy: -729.950 Base-Backbone interact. energy: -3.614 local terms energy: -713.583738 where: bonds (distance) C4'-P energy: -128.678 bonds (distance) P-C4' energy: -152.840 flat angles C4'-P-C4' energy: -163.081 flat angles P-C4'-P energy: -93.333 tors. eta vs tors. theta energy: -175.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2261.794803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.794803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.794803 (E_RNA) where: Base-Base interactions energy: -1560.089 where: short stacking energy: -699.139 Base-Backbone interact. energy: -0.102 local terms energy: -701.603617 where: bonds (distance) C4'-P energy: -145.722 bonds (distance) P-C4' energy: -132.121 flat angles C4'-P-C4' energy: -157.510 flat angles P-C4'-P energy: -106.412 tors. eta vs tors. theta energy: -159.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -2158.346296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.346296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.346296 (E_RNA) where: Base-Base interactions energy: -1501.758 where: short stacking energy: -655.501 Base-Backbone interact. energy: -2.087 local terms energy: -654.501245 where: bonds (distance) C4'-P energy: -132.764 bonds (distance) P-C4' energy: -128.545 flat angles C4'-P-C4' energy: -163.547 flat angles P-C4'-P energy: -82.456 tors. eta vs tors. theta energy: -147.189 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: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -2076.479046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.479046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.479046 (E_RNA) where: Base-Base interactions energy: -1430.007 where: short stacking energy: -635.279 Base-Backbone interact. energy: 4.977 local terms energy: -651.448615 where: bonds (distance) C4'-P energy: -131.559 bonds (distance) P-C4' energy: -115.798 flat angles C4'-P-C4' energy: -149.338 flat angles P-C4'-P energy: -94.831 tors. eta vs tors. theta energy: -159.921 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: 6 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1591.011736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.011736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.011736 (E_RNA) where: Base-Base interactions energy: -1011.929 where: short stacking energy: -479.104 Base-Backbone interact. energy: -0.602 local terms energy: -578.480108 where: bonds (distance) C4'-P energy: -117.377 bonds (distance) P-C4' energy: -141.499 flat angles C4'-P-C4' energy: -146.058 flat angles P-C4'-P energy: -77.200 tors. eta vs tors. theta energy: -96.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1596.433719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.433719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.433719 (E_RNA) where: Base-Base interactions energy: -1025.155 where: short stacking energy: -492.057 Base-Backbone interact. energy: 0.822 local terms energy: -572.100699 where: bonds (distance) C4'-P energy: -131.065 bonds (distance) P-C4' energy: -133.484 flat angles C4'-P-C4' energy: -124.597 flat angles P-C4'-P energy: -91.081 tors. eta vs tors. theta energy: -91.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -3012.565253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.565253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.565253 (E_RNA) where: Base-Base interactions energy: -2154.468 where: short stacking energy: -910.448 Base-Backbone interact. energy: 0.171 local terms energy: -858.268768 where: bonds (distance) C4'-P energy: -153.382 bonds (distance) P-C4' energy: -156.633 flat angles C4'-P-C4' energy: -179.055 flat angles P-C4'-P energy: -127.415 tors. eta vs tors. theta energy: -241.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2817.467259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.467259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.467259 (E_RNA) where: Base-Base interactions energy: -2034.430 where: short stacking energy: -833.475 Base-Backbone interact. energy: -1.771 local terms energy: -781.266244 where: bonds (distance) C4'-P energy: -147.711 bonds (distance) P-C4' energy: -152.368 flat angles C4'-P-C4' energy: -166.585 flat angles P-C4'-P energy: -104.240 tors. eta vs tors. theta energy: -210.363 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: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2733.649685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.649685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.649685 (E_RNA) where: Base-Base interactions energy: -1940.100 where: short stacking energy: -813.831 Base-Backbone interact. energy: -2.959 local terms energy: -790.590543 where: bonds (distance) C4'-P energy: -151.146 bonds (distance) P-C4' energy: -161.853 flat angles C4'-P-C4' energy: -171.263 flat angles P-C4'-P energy: -109.761 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: 4, replica: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2640.573325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.573325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.573325 (E_RNA) where: Base-Base interactions energy: -1865.008 where: short stacking energy: -776.325 Base-Backbone interact. energy: -1.041 local terms energy: -774.524003 where: bonds (distance) C4'-P energy: -125.289 bonds (distance) P-C4' energy: -159.264 flat angles C4'-P-C4' energy: -163.085 flat angles P-C4'-P energy: -116.944 tors. eta vs tors. theta energy: -209.943 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: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2394.205720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.205720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.205720 (E_RNA) where: Base-Base interactions energy: -1653.595 where: short stacking energy: -717.200 Base-Backbone interact. energy: -3.249 local terms energy: -737.362185 where: bonds (distance) C4'-P energy: -138.199 bonds (distance) P-C4' energy: -155.316 flat angles C4'-P-C4' energy: -164.307 flat angles P-C4'-P energy: -109.287 tors. eta vs tors. theta energy: -170.255 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: 6, replica: 9 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2289.572788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.572788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.572788 (E_RNA) where: Base-Base interactions energy: -1575.631 where: short stacking energy: -709.527 Base-Backbone interact. energy: -3.094 local terms energy: -710.848483 where: bonds (distance) C4'-P energy: -145.911 bonds (distance) P-C4' energy: -144.817 flat angles C4'-P-C4' energy: -164.326 flat angles P-C4'-P energy: -74.294 tors. eta vs tors. theta energy: -181.500 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: 1 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -2078.339386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.339386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.339386 (E_RNA) where: Base-Base interactions energy: -1433.574 where: short stacking energy: -603.937 Base-Backbone interact. energy: 4.986 local terms energy: -649.751664 where: bonds (distance) C4'-P energy: -132.798 bonds (distance) P-C4' energy: -137.471 flat angles C4'-P-C4' energy: -141.037 flat angles P-C4'-P energy: -98.152 tors. eta vs tors. theta energy: -140.294 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: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -2106.947566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.947566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.947566 (E_RNA) where: Base-Base interactions energy: -1458.221 where: short stacking energy: -612.449 Base-Backbone interact. energy: -3.616 local terms energy: -645.110874 where: bonds (distance) C4'-P energy: -121.806 bonds (distance) P-C4' energy: -137.801 flat angles C4'-P-C4' energy: -147.608 flat angles P-C4'-P energy: -84.253 tors. eta vs tors. theta energy: -153.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1626.318240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.318240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.318240 (E_RNA) where: Base-Base interactions energy: -1065.259 where: short stacking energy: -484.283 Base-Backbone interact. energy: 1.294 local terms energy: -562.353202 where: bonds (distance) C4'-P energy: -131.432 bonds (distance) P-C4' energy: -99.281 flat angles C4'-P-C4' energy: -132.103 flat angles P-C4'-P energy: -96.200 tors. eta vs tors. theta energy: -103.337 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: 6 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1522.237595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.237595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.237595 (E_RNA) where: Base-Base interactions energy: -1019.170 where: short stacking energy: -442.524 Base-Backbone interact. energy: -0.807 local terms energy: -502.260524 where: bonds (distance) C4'-P energy: -121.774 bonds (distance) P-C4' energy: -120.970 flat angles C4'-P-C4' energy: -124.296 flat angles P-C4'-P energy: -70.309 tors. eta vs tors. theta energy: -64.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -3003.116857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.116857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.116857 (E_RNA) where: Base-Base interactions energy: -2136.833 where: short stacking energy: -873.047 Base-Backbone interact. energy: -0.460 local terms energy: -865.824318 where: bonds (distance) C4'-P energy: -159.699 bonds (distance) P-C4' energy: -157.519 flat angles C4'-P-C4' energy: -192.259 flat angles P-C4'-P energy: -126.351 tors. eta vs tors. theta energy: -229.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2876.106666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.106666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.106666 (E_RNA) where: Base-Base interactions energy: -2076.855 where: short stacking energy: -854.852 Base-Backbone interact. energy: -3.381 local terms energy: -795.870842 where: bonds (distance) C4'-P energy: -144.074 bonds (distance) P-C4' energy: -150.670 flat angles C4'-P-C4' energy: -176.035 flat angles P-C4'-P energy: -108.668 tors. eta vs tors. theta energy: -216.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2688.352126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.352126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.352126 (E_RNA) where: Base-Base interactions energy: -1936.099 where: short stacking energy: -797.582 Base-Backbone interact. energy: -1.937 local terms energy: -750.315812 where: bonds (distance) C4'-P energy: -138.796 bonds (distance) P-C4' energy: -141.601 flat angles C4'-P-C4' energy: -162.195 flat angles P-C4'-P energy: -116.575 tors. eta vs tors. theta energy: -191.149 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: 4, replica: 3 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2668.183695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.183695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.183695 (E_RNA) where: Base-Base interactions energy: -1838.331 where: short stacking energy: -822.030 Base-Backbone interact. energy: -0.738 local terms energy: -829.114066 where: bonds (distance) C4'-P energy: -142.557 bonds (distance) P-C4' energy: -156.254 flat angles C4'-P-C4' energy: -179.457 flat angles P-C4'-P energy: -123.685 tors. eta vs tors. theta energy: -227.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2415.416448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.416448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.416448 (E_RNA) where: Base-Base interactions energy: -1682.787 where: short stacking energy: -742.403 Base-Backbone interact. energy: 3.790 local terms energy: -736.419137 where: bonds (distance) C4'-P energy: -139.097 bonds (distance) P-C4' energy: -152.146 flat angles C4'-P-C4' energy: -164.689 flat angles P-C4'-P energy: -113.182 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: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2267.002439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.002439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.002439 (E_RNA) where: Base-Base interactions energy: -1549.384 where: short stacking energy: -678.678 Base-Backbone interact. energy: -2.028 local terms energy: -715.590301 where: bonds (distance) C4'-P energy: -151.017 bonds (distance) P-C4' energy: -137.642 flat angles C4'-P-C4' energy: -162.484 flat angles P-C4'-P energy: -103.493 tors. eta vs tors. theta energy: -160.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -2125.504204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.504204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.504204 (E_RNA) where: Base-Base interactions energy: -1468.955 where: short stacking energy: -616.190 Base-Backbone interact. energy: 0.031 local terms energy: -656.580145 where: bonds (distance) C4'-P energy: -125.652 bonds (distance) P-C4' energy: -129.842 flat angles C4'-P-C4' energy: -152.176 flat angles P-C4'-P energy: -97.843 tors. eta vs tors. theta energy: -151.067 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: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -2190.201841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.201841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.201841 (E_RNA) where: Base-Base interactions energy: -1525.667 where: short stacking energy: -641.695 Base-Backbone interact. energy: -1.860 local terms energy: -662.674695 where: bonds (distance) C4'-P energy: -109.582 bonds (distance) P-C4' energy: -131.611 flat angles C4'-P-C4' energy: -146.843 flat angles P-C4'-P energy: -106.718 tors. eta vs tors. theta energy: -167.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1723.024718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.024718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.024718 (E_RNA) where: Base-Base interactions energy: -1143.938 where: short stacking energy: -531.195 Base-Backbone interact. energy: 3.672 local terms energy: -582.759120 where: bonds (distance) C4'-P energy: -114.456 bonds (distance) P-C4' energy: -136.950 flat angles C4'-P-C4' energy: -141.915 flat angles P-C4'-P energy: -89.738 tors. eta vs tors. theta energy: -99.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1454.891058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.891058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.891058 (E_RNA) where: Base-Base interactions energy: -956.469 where: short stacking energy: -438.207 Base-Backbone interact. energy: 2.018 local terms energy: -500.440109 where: bonds (distance) C4'-P energy: -106.574 bonds (distance) P-C4' energy: -133.197 flat angles C4'-P-C4' energy: -133.792 flat angles P-C4'-P energy: -64.806 tors. eta vs tors. theta energy: -62.070 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: 1, replica: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -3001.969834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.969834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.969834 (E_RNA) where: Base-Base interactions energy: -2118.631 where: short stacking energy: -909.158 Base-Backbone interact. energy: -3.429 local terms energy: -879.909994 where: bonds (distance) C4'-P energy: -156.443 bonds (distance) P-C4' energy: -182.171 flat angles C4'-P-C4' energy: -185.990 flat angles P-C4'-P energy: -117.597 tors. eta vs tors. theta energy: -237.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2896.296625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.296625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.296625 (E_RNA) where: Base-Base interactions energy: -2063.704 where: short stacking energy: -843.615 Base-Backbone interact. energy: -7.933 local terms energy: -824.659882 where: bonds (distance) C4'-P energy: -154.591 bonds (distance) P-C4' energy: -158.052 flat angles C4'-P-C4' energy: -175.902 flat angles P-C4'-P energy: -121.401 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: 3, replica: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2745.752925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.752925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.752925 (E_RNA) where: Base-Base interactions energy: -1934.752 where: short stacking energy: -830.412 Base-Backbone interact. energy: -0.723 local terms energy: -810.277882 where: bonds (distance) C4'-P energy: -140.938 bonds (distance) P-C4' energy: -155.470 flat angles C4'-P-C4' energy: -182.475 flat angles P-C4'-P energy: -116.546 tors. eta vs tors. theta energy: -214.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2661.010977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.010977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.010977 (E_RNA) where: Base-Base interactions energy: -1917.298 where: short stacking energy: -797.026 Base-Backbone interact. energy: -2.415 local terms energy: -741.297793 where: bonds (distance) C4'-P energy: -129.387 bonds (distance) P-C4' energy: -143.940 flat angles C4'-P-C4' energy: -164.378 flat angles P-C4'-P energy: -104.715 tors. eta vs tors. theta energy: -198.877 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: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2395.317922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.317922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.317922 (E_RNA) where: Base-Base interactions energy: -1714.499 where: short stacking energy: -739.703 Base-Backbone interact. energy: -1.516 local terms energy: -679.302774 where: bonds (distance) C4'-P energy: -124.969 bonds (distance) P-C4' energy: -131.672 flat angles C4'-P-C4' energy: -148.200 flat angles P-C4'-P energy: -92.546 tors. eta vs tors. theta energy: -181.914 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: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2315.001371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.001371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.001371 (E_RNA) where: Base-Base interactions energy: -1630.317 where: short stacking energy: -701.935 Base-Backbone interact. energy: -2.791 local terms energy: -681.893289 where: bonds (distance) C4'-P energy: -145.909 bonds (distance) P-C4' energy: -130.375 flat angles C4'-P-C4' energy: -151.624 flat angles P-C4'-P energy: -97.428 tors. eta vs tors. theta energy: -156.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -2160.954228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.954228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.954228 (E_RNA) where: Base-Base interactions energy: -1503.389 where: short stacking energy: -652.233 Base-Backbone interact. energy: 4.649 local terms energy: -662.214246 where: bonds (distance) C4'-P energy: -127.586 bonds (distance) P-C4' energy: -129.071 flat angles C4'-P-C4' energy: -143.204 flat angles P-C4'-P energy: -88.935 tors. eta vs tors. theta energy: -173.419 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: 8, replica: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -2042.611101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.611101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.611101 (E_RNA) where: Base-Base interactions energy: -1425.594 where: short stacking energy: -615.010 Base-Backbone interact. energy: 1.521 local terms energy: -618.537840 where: bonds (distance) C4'-P energy: -117.084 bonds (distance) P-C4' energy: -149.188 flat angles C4'-P-C4' energy: -132.021 flat angles P-C4'-P energy: -81.456 tors. eta vs tors. theta energy: -138.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1619.211439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.211439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.211439 (E_RNA) where: Base-Base interactions energy: -1064.407 where: short stacking energy: -474.601 Base-Backbone interact. energy: -2.934 local terms energy: -551.870011 where: bonds (distance) C4'-P energy: -132.712 bonds (distance) P-C4' energy: -124.940 flat angles C4'-P-C4' energy: -127.124 flat angles P-C4'-P energy: -84.030 tors. eta vs tors. theta energy: -83.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1439.022722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.022722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.022722 (E_RNA) where: Base-Base interactions energy: -957.368 where: short stacking energy: -458.948 Base-Backbone interact. energy: 7.955 local terms energy: -489.609751 where: bonds (distance) C4'-P energy: -121.268 bonds (distance) P-C4' energy: -114.242 flat angles C4'-P-C4' energy: -118.115 flat angles P-C4'-P energy: -60.201 tors. eta vs tors. theta energy: -75.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2961.145274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.145274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.145274 (E_RNA) where: Base-Base interactions energy: -2132.521 where: short stacking energy: -886.854 Base-Backbone interact. energy: -0.059 local terms energy: -828.564576 where: bonds (distance) C4'-P energy: -156.070 bonds (distance) P-C4' energy: -150.814 flat angles C4'-P-C4' energy: -181.883 flat angles P-C4'-P energy: -112.221 tors. eta vs tors. theta energy: -227.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2854.260373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.260373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.260373 (E_RNA) where: Base-Base interactions energy: -2036.492 where: short stacking energy: -837.116 Base-Backbone interact. energy: -4.882 local terms energy: -812.886089 where: bonds (distance) C4'-P energy: -154.660 bonds (distance) P-C4' energy: -137.422 flat angles C4'-P-C4' energy: -190.904 flat angles P-C4'-P energy: -110.417 tors. eta vs tors. theta energy: -219.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2763.738369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.738369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.738369 (E_RNA) where: Base-Base interactions energy: -1947.309 where: short stacking energy: -837.843 Base-Backbone interact. energy: 1.026 local terms energy: -817.455788 where: bonds (distance) C4'-P energy: -147.820 bonds (distance) P-C4' energy: -148.558 flat angles C4'-P-C4' energy: -174.805 flat angles P-C4'-P energy: -109.309 tors. eta vs tors. theta energy: -236.963 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: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2648.740887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.740887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.740887 (E_RNA) where: Base-Base interactions energy: -1889.401 where: short stacking energy: -819.380 Base-Backbone interact. energy: -3.562 local terms energy: -755.778348 where: bonds (distance) C4'-P energy: -136.014 bonds (distance) P-C4' energy: -145.564 flat angles C4'-P-C4' energy: -167.963 flat angles P-C4'-P energy: -111.187 tors. eta vs tors. theta energy: -195.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2364.879763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.879763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.879763 (E_RNA) where: Base-Base interactions energy: -1661.155 where: short stacking energy: -705.872 Base-Backbone interact. energy: 3.352 local terms energy: -707.076724 where: bonds (distance) C4'-P energy: -147.547 bonds (distance) P-C4' energy: -136.792 flat angles C4'-P-C4' energy: -141.655 flat angles P-C4'-P energy: -110.410 tors. eta vs tors. theta energy: -170.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2336.108091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.108091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.108091 (E_RNA) where: Base-Base interactions energy: -1629.245 where: short stacking energy: -693.126 Base-Backbone interact. energy: 3.160 local terms energy: -710.022674 where: bonds (distance) C4'-P energy: -112.144 bonds (distance) P-C4' energy: -135.425 flat angles C4'-P-C4' energy: -167.828 flat angles P-C4'-P energy: -107.402 tors. eta vs tors. theta energy: -187.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -2199.452977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.452977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.452977 (E_RNA) where: Base-Base interactions energy: -1525.787 where: short stacking energy: -636.903 Base-Backbone interact. energy: -3.150 local terms energy: -670.515922 where: bonds (distance) C4'-P energy: -146.164 bonds (distance) P-C4' energy: -137.435 flat angles C4'-P-C4' energy: -138.955 flat angles P-C4'-P energy: -87.351 tors. eta vs tors. theta energy: -160.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1959.238009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.238009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.238009 (E_RNA) where: Base-Base interactions energy: -1362.020 where: short stacking energy: -591.484 Base-Backbone interact. energy: 0.132 local terms energy: -597.349727 where: bonds (distance) C4'-P energy: -124.297 bonds (distance) P-C4' energy: -116.538 flat angles C4'-P-C4' energy: -147.862 flat angles P-C4'-P energy: -89.508 tors. eta vs tors. theta energy: -119.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1719.104382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.104382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.104382 (E_RNA) where: Base-Base interactions energy: -1152.752 where: short stacking energy: -536.887 Base-Backbone interact. energy: 3.498 local terms energy: -569.850876 where: bonds (distance) C4'-P energy: -119.323 bonds (distance) P-C4' energy: -131.866 flat angles C4'-P-C4' energy: -126.270 flat angles P-C4'-P energy: -77.589 tors. eta vs tors. theta energy: -114.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1474.037969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.037969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.037969 (E_RNA) where: Base-Base interactions energy: -933.086 where: short stacking energy: -434.197 Base-Backbone interact. energy: -0.211 local terms energy: -540.740112 where: bonds (distance) C4'-P energy: -127.052 bonds (distance) P-C4' energy: -114.885 flat angles C4'-P-C4' energy: -128.051 flat angles P-C4'-P energy: -97.194 tors. eta vs tors. theta energy: -73.557 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: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2985.031373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.031373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.031373 (E_RNA) where: Base-Base interactions energy: -2113.006 where: short stacking energy: -892.224 Base-Backbone interact. energy: -2.966 local terms energy: -869.059669 where: bonds (distance) C4'-P energy: -151.577 bonds (distance) P-C4' energy: -160.740 flat angles C4'-P-C4' energy: -192.971 flat angles P-C4'-P energy: -131.823 tors. eta vs tors. theta energy: -231.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2827.558695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.558695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.558695 (E_RNA) where: Base-Base interactions energy: -1994.308 where: short stacking energy: -845.329 Base-Backbone interact. energy: -2.690 local terms energy: -830.561238 where: bonds (distance) C4'-P energy: -152.431 bonds (distance) P-C4' energy: -166.037 flat angles C4'-P-C4' energy: -182.931 flat angles P-C4'-P energy: -115.393 tors. eta vs tors. theta energy: -213.769 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: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2761.135227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.135227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.135227 (E_RNA) where: Base-Base interactions energy: -1925.866 where: short stacking energy: -826.225 Base-Backbone interact. energy: -3.601 local terms energy: -831.667698 where: bonds (distance) C4'-P energy: -152.141 bonds (distance) P-C4' energy: -157.711 flat angles C4'-P-C4' energy: -181.064 flat angles P-C4'-P energy: -108.766 tors. eta vs tors. theta energy: -231.986 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: 148 Temperature: 1.050000 Total energy: -2655.629444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.629444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.629444 (E_RNA) where: Base-Base interactions energy: -1896.764 where: short stacking energy: -752.283 Base-Backbone interact. energy: -2.502 local terms energy: -756.362788 where: bonds (distance) C4'-P energy: -139.327 bonds (distance) P-C4' energy: -141.563 flat angles C4'-P-C4' energy: -178.434 flat angles P-C4'-P energy: -114.071 tors. eta vs tors. theta energy: -182.968 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: 9 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2399.406507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.406507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.406507 (E_RNA) where: Base-Base interactions energy: -1705.204 where: short stacking energy: -716.670 Base-Backbone interact. energy: -3.744 local terms energy: -690.458590 where: bonds (distance) C4'-P energy: -131.757 bonds (distance) P-C4' energy: -134.459 flat angles C4'-P-C4' energy: -152.808 flat angles P-C4'-P energy: -92.854 tors. eta vs tors. theta energy: -178.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2359.832196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.832196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.832196 (E_RNA) where: Base-Base interactions energy: -1659.186 where: short stacking energy: -726.078 Base-Backbone interact. energy: -4.655 local terms energy: -695.991851 where: bonds (distance) C4'-P energy: -144.979 bonds (distance) P-C4' energy: -136.839 flat angles C4'-P-C4' energy: -167.561 flat angles P-C4'-P energy: -80.346 tors. eta vs tors. theta energy: -166.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -2137.830110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.830110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.830110 (E_RNA) where: Base-Base interactions energy: -1497.062 where: short stacking energy: -652.594 Base-Backbone interact. energy: -1.800 local terms energy: -638.968664 where: bonds (distance) C4'-P energy: -114.562 bonds (distance) P-C4' energy: -133.944 flat angles C4'-P-C4' energy: -149.974 flat angles P-C4'-P energy: -84.598 tors. eta vs tors. theta energy: -155.890 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: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1938.335832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.335832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.335832 (E_RNA) where: Base-Base interactions energy: -1325.306 where: short stacking energy: -586.365 Base-Backbone interact. energy: 0.588 local terms energy: -613.617967 where: bonds (distance) C4'-P energy: -127.434 bonds (distance) P-C4' energy: -130.287 flat angles C4'-P-C4' energy: -139.147 flat angles P-C4'-P energy: -90.322 tors. eta vs tors. theta energy: -126.428 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: 9, replica: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1620.319508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.319508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.319508 (E_RNA) where: Base-Base interactions energy: -1070.561 where: short stacking energy: -462.508 Base-Backbone interact. energy: -0.149 local terms energy: -549.608988 where: bonds (distance) C4'-P energy: -112.531 bonds (distance) P-C4' energy: -154.065 flat angles C4'-P-C4' energy: -119.415 flat angles P-C4'-P energy: -81.913 tors. eta vs tors. theta energy: -81.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1405.245235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.245235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.245235 (E_RNA) where: Base-Base interactions energy: -895.116 where: short stacking energy: -428.011 Base-Backbone interact. energy: 3.945 local terms energy: -514.074747 where: bonds (distance) C4'-P energy: -135.390 bonds (distance) P-C4' energy: -121.302 flat angles C4'-P-C4' energy: -111.277 flat angles P-C4'-P energy: -81.680 tors. eta vs tors. theta energy: -64.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2985.662144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.662144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.662144 (E_RNA) where: Base-Base interactions energy: -2136.977 where: short stacking energy: -901.411 Base-Backbone interact. energy: 4.050 local terms energy: -852.735031 where: bonds (distance) C4'-P energy: -162.125 bonds (distance) P-C4' energy: -166.920 flat angles C4'-P-C4' energy: -181.459 flat angles P-C4'-P energy: -112.258 tors. eta vs tors. theta energy: -229.973 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: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2842.252542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.252542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.252542 (E_RNA) where: Base-Base interactions energy: -2013.088 where: short stacking energy: -867.594 Base-Backbone interact. energy: -2.627 local terms energy: -826.538022 where: bonds (distance) C4'-P energy: -144.262 bonds (distance) P-C4' energy: -157.591 flat angles C4'-P-C4' energy: -182.080 flat angles P-C4'-P energy: -117.805 tors. eta vs tors. theta energy: -224.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2758.099888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.099888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.099888 (E_RNA) where: Base-Base interactions energy: -1922.883 where: short stacking energy: -836.870 Base-Backbone interact. energy: 1.310 local terms energy: -836.526988 where: bonds (distance) C4'-P energy: -163.335 bonds (distance) P-C4' energy: -139.308 flat angles C4'-P-C4' energy: -178.448 flat angles P-C4'-P energy: -124.954 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: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2660.899704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.899704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.899704 (E_RNA) where: Base-Base interactions energy: -1891.782 where: short stacking energy: -775.919 Base-Backbone interact. energy: -2.046 local terms energy: -767.071910 where: bonds (distance) C4'-P energy: -140.976 bonds (distance) P-C4' energy: -153.012 flat angles C4'-P-C4' energy: -163.443 flat angles P-C4'-P energy: -115.566 tors. eta vs tors. theta energy: -194.074 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: 9 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2445.174889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.174889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.174889 (E_RNA) where: Base-Base interactions energy: -1706.142 where: short stacking energy: -713.824 Base-Backbone interact. energy: -0.076 local terms energy: -738.957423 where: bonds (distance) C4'-P energy: -127.488 bonds (distance) P-C4' energy: -146.663 flat angles C4'-P-C4' energy: -168.599 flat angles P-C4'-P energy: -107.662 tors. eta vs tors. theta energy: -188.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2315.594682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.594682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.594682 (E_RNA) where: Base-Base interactions energy: -1624.788 where: short stacking energy: -706.360 Base-Backbone interact. energy: 7.031 local terms energy: -697.838147 where: bonds (distance) C4'-P energy: -146.788 bonds (distance) P-C4' energy: -127.772 flat angles C4'-P-C4' energy: -159.635 flat angles P-C4'-P energy: -96.779 tors. eta vs tors. theta energy: -166.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -2126.834929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.834929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.834929 (E_RNA) where: Base-Base interactions energy: -1463.441 where: short stacking energy: -627.350 Base-Backbone interact. energy: 2.260 local terms energy: -665.654135 where: bonds (distance) C4'-P energy: -128.291 bonds (distance) P-C4' energy: -147.248 flat angles C4'-P-C4' energy: -145.484 flat angles P-C4'-P energy: -90.419 tors. eta vs tors. theta energy: -154.212 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: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1943.348293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.348293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.348293 (E_RNA) where: Base-Base interactions energy: -1311.725 where: short stacking energy: -530.112 Base-Backbone interact. energy: -3.998 local terms energy: -627.625822 where: bonds (distance) C4'-P energy: -142.456 bonds (distance) P-C4' energy: -132.285 flat angles C4'-P-C4' energy: -145.833 flat angles P-C4'-P energy: -94.732 tors. eta vs tors. theta energy: -112.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1583.948957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.948957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.948957 (E_RNA) where: Base-Base interactions energy: -1018.499 where: short stacking energy: -444.482 Base-Backbone interact. energy: 0.970 local terms energy: -566.420115 where: bonds (distance) C4'-P energy: -118.759 bonds (distance) P-C4' energy: -133.739 flat angles C4'-P-C4' energy: -132.357 flat angles P-C4'-P energy: -98.905 tors. eta vs tors. theta energy: -82.659 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: 149 Temperature: 1.350000 Total energy: -1395.844568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.844568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.844568 (E_RNA) where: Base-Base interactions energy: -869.842 where: short stacking energy: -396.149 Base-Backbone interact. energy: -1.501 local terms energy: -524.501780 where: bonds (distance) C4'-P energy: -127.388 bonds (distance) P-C4' energy: -146.226 flat angles C4'-P-C4' energy: -127.401 flat angles P-C4'-P energy: -71.595 tors. eta vs tors. theta energy: -51.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2983.405238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.405238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.405238 (E_RNA) where: Base-Base interactions energy: -2132.047 where: short stacking energy: -883.838 Base-Backbone interact. energy: 0.217 local terms energy: -851.575462 where: bonds (distance) C4'-P energy: -153.364 bonds (distance) P-C4' energy: -164.124 flat angles C4'-P-C4' energy: -187.858 flat angles P-C4'-P energy: -118.076 tors. eta vs tors. theta energy: -228.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2828.994716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.994716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.994716 (E_RNA) where: Base-Base interactions energy: -2007.602 where: short stacking energy: -835.646 Base-Backbone interact. energy: -1.603 local terms energy: -819.790289 where: bonds (distance) C4'-P energy: -158.424 bonds (distance) P-C4' energy: -148.687 flat angles C4'-P-C4' energy: -182.441 flat angles P-C4'-P energy: -122.386 tors. eta vs tors. theta energy: -207.852 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: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2792.630719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.630719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.630719 (E_RNA) where: Base-Base interactions energy: -1954.809 where: short stacking energy: -843.355 Base-Backbone interact. energy: -0.775 local terms energy: -837.047178 where: bonds (distance) C4'-P energy: -144.753 bonds (distance) P-C4' energy: -148.199 flat angles C4'-P-C4' energy: -184.085 flat angles P-C4'-P energy: -120.046 tors. eta vs tors. theta energy: -239.965 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: 150 Temperature: 1.050000 Total energy: -2618.603898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.603898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.603898 (E_RNA) where: Base-Base interactions energy: -1843.182 where: short stacking energy: -780.967 Base-Backbone interact. energy: -3.360 local terms energy: -772.062229 where: bonds (distance) C4'-P energy: -137.528 bonds (distance) P-C4' energy: -170.807 flat angles C4'-P-C4' energy: -165.386 flat angles P-C4'-P energy: -106.451 tors. eta vs tors. theta energy: -191.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2462.520450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.520450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.520450 (E_RNA) where: Base-Base interactions energy: -1723.952 where: short stacking energy: -747.093 Base-Backbone interact. energy: -2.410 local terms energy: -736.158261 where: bonds (distance) C4'-P energy: -129.442 bonds (distance) P-C4' energy: -148.157 flat angles C4'-P-C4' energy: -161.585 flat angles P-C4'-P energy: -109.396 tors. eta vs tors. theta energy: -187.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2286.836614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.836614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.836614 (E_RNA) where: Base-Base interactions energy: -1596.663 where: short stacking energy: -647.440 Base-Backbone interact. energy: -1.981 local terms energy: -688.193230 where: bonds (distance) C4'-P energy: -150.268 bonds (distance) P-C4' energy: -139.048 flat angles C4'-P-C4' energy: -147.650 flat angles P-C4'-P energy: -91.702 tors. eta vs tors. theta energy: -159.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -2125.864106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.864106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.864106 (E_RNA) where: Base-Base interactions energy: -1452.490 where: short stacking energy: -633.641 Base-Backbone interact. energy: -1.911 local terms energy: -671.463367 where: bonds (distance) C4'-P energy: -128.943 bonds (distance) P-C4' energy: -146.125 flat angles C4'-P-C4' energy: -157.109 flat angles P-C4'-P energy: -93.020 tors. eta vs tors. theta energy: -146.267 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: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1976.102050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.102050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.102050 (E_RNA) where: Base-Base interactions energy: -1386.728 where: short stacking energy: -620.762 Base-Backbone interact. energy: 0.726 local terms energy: -590.100263 where: bonds (distance) C4'-P energy: -121.833 bonds (distance) P-C4' energy: -117.883 flat angles C4'-P-C4' energy: -133.132 flat angles P-C4'-P energy: -88.985 tors. eta vs tors. theta energy: -128.267 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: 9, replica: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1567.908030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.908030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.908030 (E_RNA) where: Base-Base interactions energy: -1053.390 where: short stacking energy: -485.971 Base-Backbone interact. energy: -3.083 local terms energy: -511.434957 where: bonds (distance) C4'-P energy: -119.099 bonds (distance) P-C4' energy: -118.767 flat angles C4'-P-C4' energy: -119.747 flat angles P-C4'-P energy: -78.537 tors. eta vs tors. theta energy: -75.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1361.734610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.734610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.734610 (E_RNA) where: Base-Base interactions energy: -859.426 where: short stacking energy: -428.447 Base-Backbone interact. energy: -0.506 local terms energy: -501.801971 where: bonds (distance) C4'-P energy: -134.694 bonds (distance) P-C4' energy: -128.233 flat angles C4'-P-C4' energy: -113.596 flat angles P-C4'-P energy: -51.316 tors. eta vs tors. theta energy: -73.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2965.065287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.065287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.065287 (E_RNA) where: Base-Base interactions energy: -2114.926 where: short stacking energy: -903.461 Base-Backbone interact. energy: -2.294 local terms energy: -847.845164 where: bonds (distance) C4'-P energy: -138.936 bonds (distance) P-C4' energy: -161.207 flat angles C4'-P-C4' energy: -183.240 flat angles P-C4'-P energy: -126.596 tors. eta vs tors. theta energy: -237.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2838.201580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.201580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.201580 (E_RNA) where: Base-Base interactions energy: -2011.838 where: short stacking energy: -858.011 Base-Backbone interact. energy: -1.750 local terms energy: -824.613930 where: bonds (distance) C4'-P energy: -147.387 bonds (distance) P-C4' energy: -160.059 flat angles C4'-P-C4' energy: -176.879 flat angles P-C4'-P energy: -118.817 tors. eta vs tors. theta energy: -221.473 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: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2781.942225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.942225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.942225 (E_RNA) where: Base-Base interactions energy: -1940.568 where: short stacking energy: -833.517 Base-Backbone interact. energy: -0.529 local terms energy: -840.845041 where: bonds (distance) C4'-P energy: -146.716 bonds (distance) P-C4' energy: -152.106 flat angles C4'-P-C4' energy: -172.451 flat angles P-C4'-P energy: -133.798 tors. eta vs tors. theta energy: -235.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2638.238950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.238950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.238950 (E_RNA) where: Base-Base interactions energy: -1903.806 where: short stacking energy: -781.690 Base-Backbone interact. energy: -2.663 local terms energy: -731.769659 where: bonds (distance) C4'-P energy: -128.696 bonds (distance) P-C4' energy: -131.636 flat angles C4'-P-C4' energy: -165.135 flat angles P-C4'-P energy: -111.231 tors. eta vs tors. theta energy: -195.072 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: 5, replica: 9 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2452.180107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.180107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.180107 (E_RNA) where: Base-Base interactions energy: -1692.329 where: short stacking energy: -751.636 Base-Backbone interact. energy: 0.319 local terms energy: -760.170326 where: bonds (distance) C4'-P energy: -149.545 bonds (distance) P-C4' energy: -153.863 flat angles C4'-P-C4' energy: -145.792 flat angles P-C4'-P energy: -107.687 tors. eta vs tors. theta energy: -203.283 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: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2265.311382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.311382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.311382 (E_RNA) where: Base-Base interactions energy: -1582.708 where: short stacking energy: -693.323 Base-Backbone interact. energy: 4.033 local terms energy: -686.636101 where: bonds (distance) C4'-P energy: -134.208 bonds (distance) P-C4' energy: -144.785 flat angles C4'-P-C4' energy: -157.127 flat angles P-C4'-P energy: -80.614 tors. eta vs tors. theta energy: -169.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -2109.714523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.714523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.714523 (E_RNA) where: Base-Base interactions energy: -1434.444 where: short stacking energy: -674.297 Base-Backbone interact. energy: 1.539 local terms energy: -676.810190 where: bonds (distance) C4'-P energy: -138.443 bonds (distance) P-C4' energy: -139.730 flat angles C4'-P-C4' energy: -146.290 flat angles P-C4'-P energy: -79.221 tors. eta vs tors. theta energy: -173.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1955.294287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.294287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.294287 (E_RNA) where: Base-Base interactions energy: -1345.957 where: short stacking energy: -560.094 Base-Backbone interact. energy: 1.734 local terms energy: -611.071142 where: bonds (distance) C4'-P energy: -136.469 bonds (distance) P-C4' energy: -133.387 flat angles C4'-P-C4' energy: -149.809 flat angles P-C4'-P energy: -84.144 tors. eta vs tors. theta energy: -107.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1639.209436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.209436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.209436 (E_RNA) where: Base-Base interactions energy: -1067.867 where: short stacking energy: -461.535 Base-Backbone interact. energy: 2.673 local terms energy: -574.015184 where: bonds (distance) C4'-P energy: -112.349 bonds (distance) P-C4' energy: -137.466 flat angles C4'-P-C4' energy: -139.236 flat angles P-C4'-P energy: -85.855 tors. eta vs tors. theta energy: -99.108 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: 10, replica: 6 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1409.687500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.687500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.687500 (E_RNA) where: Base-Base interactions energy: -886.795 where: short stacking energy: -424.297 Base-Backbone interact. energy: -0.540 local terms energy: -522.352011 where: bonds (distance) C4'-P energy: -116.097 bonds (distance) P-C4' energy: -142.988 flat angles C4'-P-C4' energy: -112.431 flat angles P-C4'-P energy: -74.304 tors. eta vs tors. theta energy: -76.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -3019.631935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.631935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.631935 (E_RNA) where: Base-Base interactions energy: -2143.122 where: short stacking energy: -896.092 Base-Backbone interact. energy: -3.817 local terms energy: -872.693145 where: bonds (distance) C4'-P energy: -162.275 bonds (distance) P-C4' energy: -160.473 flat angles C4'-P-C4' energy: -179.214 flat angles P-C4'-P energy: -133.951 tors. eta vs tors. theta energy: -236.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2812.422612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.422612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.422612 (E_RNA) where: Base-Base interactions energy: -1999.349 where: short stacking energy: -846.133 Base-Backbone interact. energy: -4.151 local terms energy: -808.922894 where: bonds (distance) C4'-P energy: -146.933 bonds (distance) P-C4' energy: -168.039 flat angles C4'-P-C4' energy: -176.887 flat angles P-C4'-P energy: -106.423 tors. eta vs tors. theta energy: -210.641 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: 3, replica: 3 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2763.724206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.724206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.724206 (E_RNA) where: Base-Base interactions energy: -1947.018 where: short stacking energy: -839.375 Base-Backbone interact. energy: -4.555 local terms energy: -812.152071 where: bonds (distance) C4'-P energy: -146.398 bonds (distance) P-C4' energy: -137.520 flat angles C4'-P-C4' energy: -185.607 flat angles P-C4'-P energy: -118.994 tors. eta vs tors. theta energy: -223.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2674.638993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.638993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.638993 (E_RNA) where: Base-Base interactions energy: -1905.264 where: short stacking energy: -792.735 Base-Backbone interact. energy: 1.695 local terms energy: -771.070253 where: bonds (distance) C4'-P energy: -131.897 bonds (distance) P-C4' energy: -142.638 flat angles C4'-P-C4' energy: -172.926 flat angles P-C4'-P energy: -122.956 tors. eta vs tors. theta energy: -200.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2405.413384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.413384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.413384 (E_RNA) where: Base-Base interactions energy: -1690.718 where: short stacking energy: -747.319 Base-Backbone interact. energy: -3.123 local terms energy: -711.572984 where: bonds (distance) C4'-P energy: -143.539 bonds (distance) P-C4' energy: -134.196 flat angles C4'-P-C4' energy: -158.768 flat angles P-C4'-P energy: -98.586 tors. eta vs tors. theta energy: -176.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2231.618138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.618138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.618138 (E_RNA) where: Base-Base interactions energy: -1546.152 where: short stacking energy: -675.858 Base-Backbone interact. energy: 0.547 local terms energy: -686.013220 where: bonds (distance) C4'-P energy: -124.081 bonds (distance) P-C4' energy: -155.916 flat angles C4'-P-C4' energy: -158.990 flat angles P-C4'-P energy: -98.633 tors. eta vs tors. theta energy: -148.394 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: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -2104.215817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.215817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.215817 (E_RNA) where: Base-Base interactions energy: -1457.674 where: short stacking energy: -658.219 Base-Backbone interact. energy: 0.018 local terms energy: -646.560094 where: bonds (distance) C4'-P energy: -107.143 bonds (distance) P-C4' energy: -135.552 flat angles C4'-P-C4' energy: -152.455 flat angles P-C4'-P energy: -90.632 tors. eta vs tors. theta energy: -160.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1883.114142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.114142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.114142 (E_RNA) where: Base-Base interactions energy: -1295.162 where: short stacking energy: -557.417 Base-Backbone interact. energy: 7.125 local terms energy: -595.077462 where: bonds (distance) C4'-P energy: -118.209 bonds (distance) P-C4' energy: -140.238 flat angles C4'-P-C4' energy: -143.361 flat angles P-C4'-P energy: -78.361 tors. eta vs tors. theta energy: -114.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1606.428969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.428969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.428969 (E_RNA) where: Base-Base interactions energy: -1069.285 where: short stacking energy: -484.689 Base-Backbone interact. energy: -0.103 local terms energy: -537.040238 where: bonds (distance) C4'-P energy: -106.216 bonds (distance) P-C4' energy: -118.554 flat angles C4'-P-C4' energy: -140.311 flat angles P-C4'-P energy: -84.802 tors. eta vs tors. theta energy: -87.158 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: 10, replica: 6 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1453.153322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.153322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.153322 (E_RNA) where: Base-Base interactions energy: -972.607 where: short stacking energy: -446.306 Base-Backbone interact. energy: -0.576 local terms energy: -479.970684 where: bonds (distance) C4'-P energy: -108.319 bonds (distance) P-C4' energy: -115.040 flat angles C4'-P-C4' energy: -118.965 flat angles P-C4'-P energy: -80.516 tors. eta vs tors. theta energy: -57.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2978.463341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.463341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.463341 (E_RNA) where: Base-Base interactions energy: -2127.915 where: short stacking energy: -900.324 Base-Backbone interact. energy: -3.023 local terms energy: -847.525605 where: bonds (distance) C4'-P energy: -150.564 bonds (distance) P-C4' energy: -165.773 flat angles C4'-P-C4' energy: -181.846 flat angles P-C4'-P energy: -117.689 tors. eta vs tors. theta energy: -231.654 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: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2840.337107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.337107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.337107 (E_RNA) where: Base-Base interactions energy: -2002.166 where: short stacking energy: -850.432 Base-Backbone interact. energy: -2.525 local terms energy: -835.646117 where: bonds (distance) C4'-P energy: -168.398 bonds (distance) P-C4' energy: -158.452 flat angles C4'-P-C4' energy: -177.156 flat angles P-C4'-P energy: -113.431 tors. eta vs tors. theta energy: -218.208 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: 3, replica: 3 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2784.390367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.390367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.390367 (E_RNA) where: Base-Base interactions energy: -1948.361 where: short stacking energy: -879.536 Base-Backbone interact. energy: 2.422 local terms energy: -838.450872 where: bonds (distance) C4'-P energy: -135.327 bonds (distance) P-C4' energy: -165.501 flat angles C4'-P-C4' energy: -165.242 flat angles P-C4'-P energy: -128.411 tors. eta vs tors. theta energy: -243.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2681.535272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.535272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.535272 (E_RNA) where: Base-Base interactions energy: -1909.519 where: short stacking energy: -788.581 Base-Backbone interact. energy: -1.508 local terms energy: -770.508108 where: bonds (distance) C4'-P energy: -149.507 bonds (distance) P-C4' energy: -151.486 flat angles C4'-P-C4' energy: -164.054 flat angles P-C4'-P energy: -113.997 tors. eta vs tors. theta energy: -191.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2433.645626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.645626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.645626 (E_RNA) where: Base-Base interactions energy: -1720.890 where: short stacking energy: -734.736 Base-Backbone interact. energy: -2.357 local terms energy: -710.399142 where: bonds (distance) C4'-P energy: -121.594 bonds (distance) P-C4' energy: -144.924 flat angles C4'-P-C4' energy: -157.827 flat angles P-C4'-P energy: -106.865 tors. eta vs tors. theta energy: -179.190 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: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2256.135081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.135081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.135081 (E_RNA) where: Base-Base interactions energy: -1612.393 where: short stacking energy: -645.916 Base-Backbone interact. energy: -3.335 local terms energy: -640.407207 where: bonds (distance) C4'-P energy: -118.681 bonds (distance) P-C4' energy: -128.357 flat angles C4'-P-C4' energy: -158.994 flat angles P-C4'-P energy: -85.756 tors. eta vs tors. theta energy: -148.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -2093.617205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.617205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.617205 (E_RNA) where: Base-Base interactions energy: -1430.461 where: short stacking energy: -615.804 Base-Backbone interact. energy: 11.599 local terms energy: -674.754940 where: bonds (distance) C4'-P energy: -133.906 bonds (distance) P-C4' energy: -136.349 flat angles C4'-P-C4' energy: -150.525 flat angles P-C4'-P energy: -99.302 tors. eta vs tors. theta energy: -154.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1987.783914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.783914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.783914 (E_RNA) where: Base-Base interactions energy: -1319.211 where: short stacking energy: -599.147 Base-Backbone interact. energy: -4.109 local terms energy: -664.463888 where: bonds (distance) C4'-P energy: -140.009 bonds (distance) P-C4' energy: -139.437 flat angles C4'-P-C4' energy: -149.642 flat angles P-C4'-P energy: -90.334 tors. eta vs tors. theta energy: -145.041 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: 9, replica: 5 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1740.014091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.014091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.014091 (E_RNA) where: Base-Base interactions energy: -1162.371 where: short stacking energy: -529.043 Base-Backbone interact. energy: -2.739 local terms energy: -574.903991 where: bonds (distance) C4'-P energy: -134.579 bonds (distance) P-C4' energy: -139.942 flat angles C4'-P-C4' energy: -130.756 flat angles P-C4'-P energy: -77.705 tors. eta vs tors. theta energy: -91.923 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: 10, replica: 6 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1437.065346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.065346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.065346 (E_RNA) where: Base-Base interactions energy: -932.819 where: short stacking energy: -445.771 Base-Backbone interact. energy: -2.298 local terms energy: -501.948559 where: bonds (distance) C4'-P energy: -116.851 bonds (distance) P-C4' energy: -108.180 flat angles C4'-P-C4' energy: -129.407 flat angles P-C4'-P energy: -79.319 tors. eta vs tors. theta energy: -68.192 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: 154 Temperature: 0.900000 Total energy: -2985.337375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.337375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.337375 (E_RNA) where: Base-Base interactions energy: -2110.937 where: short stacking energy: -920.938 Base-Backbone interact. energy: -1.264 local terms energy: -873.136436 where: bonds (distance) C4'-P energy: -157.335 bonds (distance) P-C4' energy: -162.205 flat angles C4'-P-C4' energy: -183.470 flat angles P-C4'-P energy: -129.075 tors. eta vs tors. theta energy: -241.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2828.696487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.696487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.696487 (E_RNA) where: Base-Base interactions energy: -2013.845 where: short stacking energy: -834.550 Base-Backbone interact. energy: 0.428 local terms energy: -815.279712 where: bonds (distance) C4'-P energy: -141.024 bonds (distance) P-C4' energy: -154.545 flat angles C4'-P-C4' energy: -176.093 flat angles P-C4'-P energy: -116.651 tors. eta vs tors. theta energy: -226.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2773.014648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.014648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.014648 (E_RNA) where: Base-Base interactions energy: -1956.455 where: short stacking energy: -879.031 Base-Backbone interact. energy: -2.701 local terms energy: -813.857968 where: bonds (distance) C4'-P energy: -148.722 bonds (distance) P-C4' energy: -142.065 flat angles C4'-P-C4' energy: -171.753 flat angles P-C4'-P energy: -113.412 tors. eta vs tors. theta energy: -237.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2657.947327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.947327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.947327 (E_RNA) where: Base-Base interactions energy: -1896.850 where: short stacking energy: -755.886 Base-Backbone interact. energy: -2.862 local terms energy: -758.235419 where: bonds (distance) C4'-P energy: -148.408 bonds (distance) P-C4' energy: -144.052 flat angles C4'-P-C4' energy: -182.079 flat angles P-C4'-P energy: -105.179 tors. eta vs tors. theta energy: -178.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2444.850829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.850829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.850829 (E_RNA) where: Base-Base interactions energy: -1736.412 where: short stacking energy: -742.527 Base-Backbone interact. energy: -2.458 local terms energy: -705.981001 where: bonds (distance) C4'-P energy: -130.971 bonds (distance) P-C4' energy: -147.285 flat angles C4'-P-C4' energy: -150.413 flat angles P-C4'-P energy: -90.003 tors. eta vs tors. theta energy: -187.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2341.213985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.213985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.213985 (E_RNA) where: Base-Base interactions energy: -1629.307 where: short stacking energy: -707.636 Base-Backbone interact. energy: -1.218 local terms energy: -710.688901 where: bonds (distance) C4'-P energy: -145.581 bonds (distance) P-C4' energy: -138.731 flat angles C4'-P-C4' energy: -160.383 flat angles P-C4'-P energy: -95.899 tors. eta vs tors. theta energy: -170.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -2082.427890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.427890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.427890 (E_RNA) where: Base-Base interactions energy: -1427.216 where: short stacking energy: -652.058 Base-Backbone interact. energy: -1.558 local terms energy: -653.653541 where: bonds (distance) C4'-P energy: -112.544 bonds (distance) P-C4' energy: -140.207 flat angles C4'-P-C4' energy: -147.094 flat angles P-C4'-P energy: -92.609 tors. eta vs tors. theta energy: -161.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -2003.064653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.064653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.064653 (E_RNA) where: Base-Base interactions energy: -1371.480 where: short stacking energy: -605.868 Base-Backbone interact. energy: 3.656 local terms energy: -635.240719 where: bonds (distance) C4'-P energy: -111.872 bonds (distance) P-C4' energy: -141.177 flat angles C4'-P-C4' energy: -141.794 flat angles P-C4'-P energy: -91.896 tors. eta vs tors. theta energy: -148.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1637.238735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.238735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.238735 (E_RNA) where: Base-Base interactions energy: -1046.583 where: short stacking energy: -469.345 Base-Backbone interact. energy: -2.948 local terms energy: -587.708372 where: bonds (distance) C4'-P energy: -149.731 bonds (distance) P-C4' energy: -145.554 flat angles C4'-P-C4' energy: -130.602 flat angles P-C4'-P energy: -74.558 tors. eta vs tors. theta energy: -87.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1363.945554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.945554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.945554 (E_RNA) where: Base-Base interactions energy: -846.950 where: short stacking energy: -434.976 Base-Backbone interact. energy: -2.190 local terms energy: -514.805414 where: bonds (distance) C4'-P energy: -143.143 bonds (distance) P-C4' energy: -120.941 flat angles C4'-P-C4' energy: -127.906 flat angles P-C4'-P energy: -72.122 tors. eta vs tors. theta energy: -50.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2969.186968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.186968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.186968 (E_RNA) where: Base-Base interactions energy: -2112.348 where: short stacking energy: -899.665 Base-Backbone interact. energy: -3.745 local terms energy: -853.093941 where: bonds (distance) C4'-P energy: -153.804 bonds (distance) P-C4' energy: -155.983 flat angles C4'-P-C4' energy: -175.734 flat angles P-C4'-P energy: -127.387 tors. eta vs tors. theta energy: -240.186 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: 155 Temperature: 0.950000 Total energy: -2802.807463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.807463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.807463 (E_RNA) where: Base-Base interactions energy: -1965.763 where: short stacking energy: -807.542 Base-Backbone interact. energy: -3.072 local terms energy: -833.971619 where: bonds (distance) C4'-P energy: -162.464 bonds (distance) P-C4' energy: -156.664 flat angles C4'-P-C4' energy: -180.501 flat angles P-C4'-P energy: -121.506 tors. eta vs tors. theta energy: -212.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2759.505050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.505050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.505050 (E_RNA) where: Base-Base interactions energy: -1939.180 where: short stacking energy: -852.008 Base-Backbone interact. energy: -4.706 local terms energy: -815.619433 where: bonds (distance) C4'-P energy: -149.119 bonds (distance) P-C4' energy: -144.068 flat angles C4'-P-C4' energy: -164.507 flat angles P-C4'-P energy: -115.638 tors. eta vs tors. theta energy: -242.288 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: 10 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2590.816901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.816901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.816901 (E_RNA) where: Base-Base interactions energy: -1833.480 where: short stacking energy: -761.289 Base-Backbone interact. energy: -1.083 local terms energy: -756.253209 where: bonds (distance) C4'-P energy: -136.512 bonds (distance) P-C4' energy: -141.167 flat angles C4'-P-C4' energy: -177.914 flat angles P-C4'-P energy: -115.309 tors. eta vs tors. theta energy: -185.351 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: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2515.407485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.407485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.407485 (E_RNA) where: Base-Base interactions energy: -1765.826 where: short stacking energy: -805.671 Base-Backbone interact. energy: -3.037 local terms energy: -746.544019 where: bonds (distance) C4'-P energy: -133.184 bonds (distance) P-C4' energy: -136.848 flat angles C4'-P-C4' energy: -152.376 flat angles P-C4'-P energy: -118.194 tors. eta vs tors. theta energy: -205.942 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: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2280.936928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.936928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.936928 (E_RNA) where: Base-Base interactions energy: -1574.103 where: short stacking energy: -680.472 Base-Backbone interact. energy: -4.482 local terms energy: -702.351523 where: bonds (distance) C4'-P energy: -140.673 bonds (distance) P-C4' energy: -145.253 flat angles C4'-P-C4' energy: -149.084 flat angles P-C4'-P energy: -108.670 tors. eta vs tors. theta energy: -158.671 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: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -2094.769238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.769238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.769238 (E_RNA) where: Base-Base interactions energy: -1441.954 where: short stacking energy: -636.955 Base-Backbone interact. energy: -0.035 local terms energy: -652.780333 where: bonds (distance) C4'-P energy: -131.779 bonds (distance) P-C4' energy: -140.914 flat angles C4'-P-C4' energy: -143.676 flat angles P-C4'-P energy: -104.662 tors. eta vs tors. theta energy: -131.750 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: 155 Temperature: 1.250000 Total energy: -2041.436838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.436838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.436838 (E_RNA) where: Base-Base interactions energy: -1418.125 where: short stacking energy: -639.037 Base-Backbone interact. energy: -0.274 local terms energy: -623.038034 where: bonds (distance) C4'-P energy: -115.116 bonds (distance) P-C4' energy: -148.635 flat angles C4'-P-C4' energy: -128.062 flat angles P-C4'-P energy: -75.916 tors. eta vs tors. theta energy: -155.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1646.859824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.859824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.859824 (E_RNA) where: Base-Base interactions energy: -1066.903 where: short stacking energy: -480.262 Base-Backbone interact. energy: 0.512 local terms energy: -580.468457 where: bonds (distance) C4'-P energy: -141.438 bonds (distance) P-C4' energy: -141.831 flat angles C4'-P-C4' energy: -131.558 flat angles P-C4'-P energy: -63.121 tors. eta vs tors. theta energy: -102.521 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: 6 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1441.595519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.595519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.595519 (E_RNA) where: Base-Base interactions energy: -936.870 where: short stacking energy: -444.461 Base-Backbone interact. energy: 1.107 local terms energy: -505.832401 where: bonds (distance) C4'-P energy: -119.788 bonds (distance) P-C4' energy: -130.828 flat angles C4'-P-C4' energy: -107.326 flat angles P-C4'-P energy: -75.726 tors. eta vs tors. theta energy: -72.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2991.732993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.732993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.732993 (E_RNA) where: Base-Base interactions energy: -2117.371 where: short stacking energy: -886.996 Base-Backbone interact. energy: -4.777 local terms energy: -869.585273 where: bonds (distance) C4'-P energy: -162.435 bonds (distance) P-C4' energy: -166.225 flat angles C4'-P-C4' energy: -187.052 flat angles P-C4'-P energy: -124.801 tors. eta vs tors. theta energy: -229.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2822.144830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.144830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.144830 (E_RNA) where: Base-Base interactions energy: -1998.488 where: short stacking energy: -827.251 Base-Backbone interact. energy: -3.847 local terms energy: -819.809565 where: bonds (distance) C4'-P energy: -157.206 bonds (distance) P-C4' energy: -162.662 flat angles C4'-P-C4' energy: -173.801 flat angles P-C4'-P energy: -118.006 tors. eta vs tors. theta energy: -208.135 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: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2737.965755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.965755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.965755 (E_RNA) where: Base-Base interactions energy: -1878.377 where: short stacking energy: -832.511 Base-Backbone interact. energy: -2.838 local terms energy: -856.750835 where: bonds (distance) C4'-P energy: -165.389 bonds (distance) P-C4' energy: -172.584 flat angles C4'-P-C4' energy: -172.234 flat angles P-C4'-P energy: -108.053 tors. eta vs tors. theta energy: -238.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2620.192844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.192844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.192844 (E_RNA) where: Base-Base interactions energy: -1852.263 where: short stacking energy: -758.558 Base-Backbone interact. energy: -0.431 local terms energy: -767.498315 where: bonds (distance) C4'-P energy: -152.409 bonds (distance) P-C4' energy: -142.819 flat angles C4'-P-C4' energy: -172.713 flat angles P-C4'-P energy: -127.317 tors. eta vs tors. theta energy: -172.240 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: 5, replica: 9 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2490.366668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.366668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.366668 (E_RNA) where: Base-Base interactions energy: -1758.589 where: short stacking energy: -744.989 Base-Backbone interact. energy: 1.090 local terms energy: -732.867252 where: bonds (distance) C4'-P energy: -122.424 bonds (distance) P-C4' energy: -140.995 flat angles C4'-P-C4' energy: -182.610 flat angles P-C4'-P energy: -99.944 tors. eta vs tors. theta energy: -186.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2195.114183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.114183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.114183 (E_RNA) where: Base-Base interactions energy: -1521.977 where: short stacking energy: -650.357 Base-Backbone interact. energy: -0.629 local terms energy: -672.508961 where: bonds (distance) C4'-P energy: -140.272 bonds (distance) P-C4' energy: -127.414 flat angles C4'-P-C4' energy: -160.089 flat angles P-C4'-P energy: -100.709 tors. eta vs tors. theta energy: -144.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -2118.131559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.131559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.131559 (E_RNA) where: Base-Base interactions energy: -1463.909 where: short stacking energy: -646.544 Base-Backbone interact. energy: -4.285 local terms energy: -649.937244 where: bonds (distance) C4'-P energy: -121.598 bonds (distance) P-C4' energy: -131.098 flat angles C4'-P-C4' energy: -147.947 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -164.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -2049.302553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.302553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.302553 (E_RNA) where: Base-Base interactions energy: -1406.639 where: short stacking energy: -621.467 Base-Backbone interact. energy: -2.491 local terms energy: -640.173336 where: bonds (distance) C4'-P energy: -127.662 bonds (distance) P-C4' energy: -127.655 flat angles C4'-P-C4' energy: -147.540 flat angles P-C4'-P energy: -86.132 tors. eta vs tors. theta energy: -151.184 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: 5 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1657.416591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.416591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.416591 (E_RNA) where: Base-Base interactions energy: -1150.944 where: short stacking energy: -507.997 Base-Backbone interact. energy: 2.906 local terms energy: -509.379047 where: bonds (distance) C4'-P energy: -119.094 bonds (distance) P-C4' energy: -102.523 flat angles C4'-P-C4' energy: -110.674 flat angles P-C4'-P energy: -76.919 tors. eta vs tors. theta energy: -100.169 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: 10, replica: 6 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1396.759156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.759156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.759156 (E_RNA) where: Base-Base interactions energy: -902.018 where: short stacking energy: -423.596 Base-Backbone interact. energy: -1.271 local terms energy: -493.470211 where: bonds (distance) C4'-P energy: -111.492 bonds (distance) P-C4' energy: -127.091 flat angles C4'-P-C4' energy: -131.625 flat angles P-C4'-P energy: -59.281 tors. eta vs tors. theta energy: -63.981 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: 7 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2989.118863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.118863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.118863 (E_RNA) where: Base-Base interactions energy: -2125.369 where: short stacking energy: -879.027 Base-Backbone interact. energy: -2.700 local terms energy: -861.049744 where: bonds (distance) C4'-P energy: -147.178 bonds (distance) P-C4' energy: -172.361 flat angles C4'-P-C4' energy: -189.795 flat angles P-C4'-P energy: -125.882 tors. eta vs tors. theta energy: -225.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2815.589471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.589471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.589471 (E_RNA) where: Base-Base interactions energy: -2002.450 where: short stacking energy: -840.110 Base-Backbone interact. energy: -5.580 local terms energy: -807.559090 where: bonds (distance) C4'-P energy: -149.897 bonds (distance) P-C4' energy: -154.273 flat angles C4'-P-C4' energy: -173.766 flat angles P-C4'-P energy: -105.691 tors. eta vs tors. theta energy: -223.931 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: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2749.905561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.905561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.905561 (E_RNA) where: Base-Base interactions energy: -1926.114 where: short stacking energy: -816.875 Base-Backbone interact. energy: -1.396 local terms energy: -822.396202 where: bonds (distance) C4'-P energy: -144.684 bonds (distance) P-C4' energy: -149.697 flat angles C4'-P-C4' energy: -172.324 flat angles P-C4'-P energy: -132.064 tors. eta vs tors. theta energy: -223.627 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: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2650.185433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.185433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.185433 (E_RNA) where: Base-Base interactions energy: -1873.903 where: short stacking energy: -777.844 Base-Backbone interact. energy: -6.801 local terms energy: -769.480977 where: bonds (distance) C4'-P energy: -147.784 bonds (distance) P-C4' energy: -151.424 flat angles C4'-P-C4' energy: -176.859 flat angles P-C4'-P energy: -101.148 tors. eta vs tors. theta energy: -192.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2484.072224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.072224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.072224 (E_RNA) where: Base-Base interactions energy: -1726.887 where: short stacking energy: -765.902 Base-Backbone interact. energy: -1.382 local terms energy: -755.803113 where: bonds (distance) C4'-P energy: -140.777 bonds (distance) P-C4' energy: -126.827 flat angles C4'-P-C4' energy: -179.707 flat angles P-C4'-P energy: -110.803 tors. eta vs tors. theta energy: -197.689 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: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2280.398040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.398040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.398040 (E_RNA) where: Base-Base interactions energy: -1593.026 where: short stacking energy: -684.346 Base-Backbone interact. energy: -4.537 local terms energy: -682.834440 where: bonds (distance) C4'-P energy: -149.861 bonds (distance) P-C4' energy: -122.810 flat angles C4'-P-C4' energy: -146.686 flat angles P-C4'-P energy: -97.243 tors. eta vs tors. theta energy: -166.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -2089.284171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.284171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.284171 (E_RNA) where: Base-Base interactions energy: -1431.634 where: short stacking energy: -652.519 Base-Backbone interact. energy: -1.823 local terms energy: -655.826535 where: bonds (distance) C4'-P energy: -126.179 bonds (distance) P-C4' energy: -138.952 flat angles C4'-P-C4' energy: -145.888 flat angles P-C4'-P energy: -90.372 tors. eta vs tors. theta energy: -154.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1944.502927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.502927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.502927 (E_RNA) where: Base-Base interactions energy: -1352.362 where: short stacking energy: -594.674 Base-Backbone interact. energy: -0.189 local terms energy: -591.951887 where: bonds (distance) C4'-P energy: -114.193 bonds (distance) P-C4' energy: -117.535 flat angles C4'-P-C4' energy: -152.549 flat angles P-C4'-P energy: -76.075 tors. eta vs tors. theta energy: -131.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1743.624439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.624439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.624439 (E_RNA) where: Base-Base interactions energy: -1171.990 where: short stacking energy: -519.542 Base-Backbone interact. energy: -0.613 local terms energy: -571.021734 where: bonds (distance) C4'-P energy: -129.130 bonds (distance) P-C4' energy: -126.300 flat angles C4'-P-C4' energy: -130.664 flat angles P-C4'-P energy: -79.338 tors. eta vs tors. theta energy: -105.589 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: 6 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1372.172169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.172169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.172169 (E_RNA) where: Base-Base interactions energy: -896.108 where: short stacking energy: -421.343 Base-Backbone interact. energy: 0.661 local terms energy: -476.725092 where: bonds (distance) C4'-P energy: -96.728 bonds (distance) P-C4' energy: -117.982 flat angles C4'-P-C4' energy: -101.736 flat angles P-C4'-P energy: -87.552 tors. eta vs tors. theta energy: -72.727 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: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -3028.850665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.850665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.850665 (E_RNA) where: Base-Base interactions energy: -2155.828 where: short stacking energy: -909.401 Base-Backbone interact. energy: -2.559 local terms energy: -870.463891 where: bonds (distance) C4'-P energy: -162.715 bonds (distance) P-C4' energy: -156.741 flat angles C4'-P-C4' energy: -194.264 flat angles P-C4'-P energy: -120.370 tors. eta vs tors. theta energy: -236.373 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: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2838.995714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.995714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.995714 (E_RNA) where: Base-Base interactions energy: -2025.450 where: short stacking energy: -842.165 Base-Backbone interact. energy: -6.954 local terms energy: -806.591506 where: bonds (distance) C4'-P energy: -131.648 bonds (distance) P-C4' energy: -165.623 flat angles C4'-P-C4' energy: -182.534 flat angles P-C4'-P energy: -100.169 tors. eta vs tors. theta energy: -226.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2747.896351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.896351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.896351 (E_RNA) where: Base-Base interactions energy: -1922.695 where: short stacking energy: -832.818 Base-Backbone interact. energy: 4.186 local terms energy: -829.387258 where: bonds (distance) C4'-P energy: -143.637 bonds (distance) P-C4' energy: -169.824 flat angles C4'-P-C4' energy: -182.830 flat angles P-C4'-P energy: -110.938 tors. eta vs tors. theta energy: -222.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2633.281747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.281747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.281747 (E_RNA) where: Base-Base interactions energy: -1866.063 where: short stacking energy: -788.690 Base-Backbone interact. energy: -3.291 local terms energy: -763.927339 where: bonds (distance) C4'-P energy: -153.281 bonds (distance) P-C4' energy: -146.075 flat angles C4'-P-C4' energy: -165.328 flat angles P-C4'-P energy: -107.816 tors. eta vs tors. theta energy: -191.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2444.593657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.593657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.593657 (E_RNA) where: Base-Base interactions energy: -1707.139 where: short stacking energy: -771.119 Base-Backbone interact. energy: -1.871 local terms energy: -735.584047 where: bonds (distance) C4'-P energy: -124.945 bonds (distance) P-C4' energy: -156.482 flat angles C4'-P-C4' energy: -168.977 flat angles P-C4'-P energy: -84.878 tors. eta vs tors. theta energy: -200.302 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: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2270.025271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.025271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.025271 (E_RNA) where: Base-Base interactions energy: -1595.435 where: short stacking energy: -668.729 Base-Backbone interact. energy: -1.012 local terms energy: -673.578733 where: bonds (distance) C4'-P energy: -130.689 bonds (distance) P-C4' energy: -135.489 flat angles C4'-P-C4' energy: -139.569 flat angles P-C4'-P energy: -102.553 tors. eta vs tors. theta energy: -165.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -2091.026548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.026548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.026548 (E_RNA) where: Base-Base interactions energy: -1436.411 where: short stacking energy: -641.168 Base-Backbone interact. energy: -0.076 local terms energy: -654.539368 where: bonds (distance) C4'-P energy: -122.664 bonds (distance) P-C4' energy: -139.216 flat angles C4'-P-C4' energy: -143.515 flat angles P-C4'-P energy: -90.682 tors. eta vs tors. theta energy: -158.462 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: 8, replica: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1980.033435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.033435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.033435 (E_RNA) where: Base-Base interactions energy: -1342.868 where: short stacking energy: -621.649 Base-Backbone interact. energy: -2.718 local terms energy: -634.447032 where: bonds (distance) C4'-P energy: -130.487 bonds (distance) P-C4' energy: -122.597 flat angles C4'-P-C4' energy: -138.953 flat angles P-C4'-P energy: -103.005 tors. eta vs tors. theta energy: -139.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1736.398784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.398784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.398784 (E_RNA) where: Base-Base interactions energy: -1161.851 where: short stacking energy: -534.275 Base-Backbone interact. energy: 5.124 local terms energy: -579.672014 where: bonds (distance) C4'-P energy: -120.966 bonds (distance) P-C4' energy: -131.531 flat angles C4'-P-C4' energy: -131.884 flat angles P-C4'-P energy: -88.172 tors. eta vs tors. theta energy: -107.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1354.778992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.778992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.778992 (E_RNA) where: Base-Base interactions energy: -859.019 where: short stacking energy: -370.427 Base-Backbone interact. energy: 5.203 local terms energy: -500.962233 where: bonds (distance) C4'-P energy: -125.660 bonds (distance) P-C4' energy: -140.005 flat angles C4'-P-C4' energy: -111.822 flat angles P-C4'-P energy: -71.568 tors. eta vs tors. theta energy: -51.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -3014.378299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.378299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.378299 (E_RNA) where: Base-Base interactions energy: -2127.175 where: short stacking energy: -904.745 Base-Backbone interact. energy: -2.747 local terms energy: -884.456460 where: bonds (distance) C4'-P energy: -167.334 bonds (distance) P-C4' energy: -170.532 flat angles C4'-P-C4' energy: -191.594 flat angles P-C4'-P energy: -123.863 tors. eta vs tors. theta energy: -231.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2866.927217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.927217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.927217 (E_RNA) where: Base-Base interactions energy: -2028.061 where: short stacking energy: -865.159 Base-Backbone interact. energy: -3.890 local terms energy: -834.975690 where: bonds (distance) C4'-P energy: -144.236 bonds (distance) P-C4' energy: -168.339 flat angles C4'-P-C4' energy: -188.202 flat angles P-C4'-P energy: -121.277 tors. eta vs tors. theta energy: -212.922 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: 3 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2765.303261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.303261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.303261 (E_RNA) where: Base-Base interactions energy: -1938.194 where: short stacking energy: -847.360 Base-Backbone interact. energy: -2.008 local terms energy: -825.100897 where: bonds (distance) C4'-P energy: -132.394 bonds (distance) P-C4' energy: -164.476 flat angles C4'-P-C4' energy: -184.952 flat angles P-C4'-P energy: -120.998 tors. eta vs tors. theta energy: -222.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2642.468303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.468303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.468303 (E_RNA) where: Base-Base interactions energy: -1893.029 where: short stacking energy: -787.754 Base-Backbone interact. energy: -5.937 local terms energy: -743.502557 where: bonds (distance) C4'-P energy: -111.951 bonds (distance) P-C4' energy: -148.722 flat angles C4'-P-C4' energy: -167.150 flat angles P-C4'-P energy: -111.461 tors. eta vs tors. theta energy: -204.218 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: 9 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2416.003421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.003421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.003421 (E_RNA) where: Base-Base interactions energy: -1672.635 where: short stacking energy: -729.059 Base-Backbone interact. energy: 1.109 local terms energy: -744.477502 where: bonds (distance) C4'-P energy: -161.818 bonds (distance) P-C4' energy: -147.795 flat angles C4'-P-C4' energy: -142.573 flat angles P-C4'-P energy: -111.831 tors. eta vs tors. theta energy: -180.461 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: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2220.854580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.854580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.854580 (E_RNA) where: Base-Base interactions energy: -1562.516 where: short stacking energy: -656.208 Base-Backbone interact. energy: -4.531 local terms energy: -653.807972 where: bonds (distance) C4'-P energy: -136.588 bonds (distance) P-C4' energy: -119.363 flat angles C4'-P-C4' energy: -154.084 flat angles P-C4'-P energy: -90.008 tors. eta vs tors. theta energy: -153.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -2083.896234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.896234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.896234 (E_RNA) where: Base-Base interactions energy: -1407.118 where: short stacking energy: -650.721 Base-Backbone interact. energy: -3.214 local terms energy: -673.564262 where: bonds (distance) C4'-P energy: -142.138 bonds (distance) P-C4' energy: -127.773 flat angles C4'-P-C4' energy: -145.576 flat angles P-C4'-P energy: -103.107 tors. eta vs tors. theta energy: -154.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1956.497758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.497758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.497758 (E_RNA) where: Base-Base interactions energy: -1339.542 where: short stacking energy: -582.379 Base-Backbone interact. energy: -2.592 local terms energy: -614.363813 where: bonds (distance) C4'-P energy: -129.485 bonds (distance) P-C4' energy: -128.378 flat angles C4'-P-C4' energy: -143.322 flat angles P-C4'-P energy: -84.585 tors. eta vs tors. theta energy: -128.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1696.644666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.644666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.644666 (E_RNA) where: Base-Base interactions energy: -1136.662 where: short stacking energy: -525.713 Base-Backbone interact. energy: 1.403 local terms energy: -561.385684 where: bonds (distance) C4'-P energy: -108.971 bonds (distance) P-C4' energy: -120.810 flat angles C4'-P-C4' energy: -141.745 flat angles P-C4'-P energy: -82.921 tors. eta vs tors. theta energy: -106.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1333.926446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.926446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.926446 (E_RNA) where: Base-Base interactions energy: -826.977 where: short stacking energy: -399.056 Base-Backbone interact. energy: 0.178 local terms energy: -507.128113 where: bonds (distance) C4'-P energy: -121.940 bonds (distance) P-C4' energy: -130.239 flat angles C4'-P-C4' energy: -112.695 flat angles P-C4'-P energy: -87.381 tors. eta vs tors. theta energy: -54.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -3033.951767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.951767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.951767 (E_RNA) where: Base-Base interactions energy: -2141.510 where: short stacking energy: -925.222 Base-Backbone interact. energy: -5.468 local terms energy: -886.973531 where: bonds (distance) C4'-P energy: -167.347 bonds (distance) P-C4' energy: -177.568 flat angles C4'-P-C4' energy: -178.135 flat angles P-C4'-P energy: -132.056 tors. eta vs tors. theta energy: -231.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2861.161454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.161454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.161454 (E_RNA) where: Base-Base interactions energy: -2025.961 where: short stacking energy: -829.409 Base-Backbone interact. energy: -4.257 local terms energy: -830.943619 where: bonds (distance) C4'-P energy: -155.497 bonds (distance) P-C4' energy: -161.612 flat angles C4'-P-C4' energy: -174.945 flat angles P-C4'-P energy: -121.668 tors. eta vs tors. theta energy: -217.222 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: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2749.145626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.145626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.145626 (E_RNA) where: Base-Base interactions energy: -1949.935 where: short stacking energy: -833.491 Base-Backbone interact. energy: -3.642 local terms energy: -795.569320 where: bonds (distance) C4'-P energy: -131.309 bonds (distance) P-C4' energy: -168.396 flat angles C4'-P-C4' energy: -165.498 flat angles P-C4'-P energy: -109.261 tors. eta vs tors. theta energy: -221.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2663.692706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.692706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.692706 (E_RNA) where: Base-Base interactions energy: -1862.312 where: short stacking energy: -800.388 Base-Backbone interact. energy: -4.186 local terms energy: -797.194156 where: bonds (distance) C4'-P energy: -146.096 bonds (distance) P-C4' energy: -144.325 flat angles C4'-P-C4' energy: -175.833 flat angles P-C4'-P energy: -114.856 tors. eta vs tors. theta energy: -216.084 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: 9 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2415.209771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.209771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.209771 (E_RNA) where: Base-Base interactions energy: -1661.785 where: short stacking energy: -722.174 Base-Backbone interact. energy: -4.027 local terms energy: -749.397858 where: bonds (distance) C4'-P energy: -137.967 bonds (distance) P-C4' energy: -138.350 flat angles C4'-P-C4' energy: -169.490 flat angles P-C4'-P energy: -120.412 tors. eta vs tors. theta energy: -183.180 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: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2257.225470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.225470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.225470 (E_RNA) where: Base-Base interactions energy: -1553.110 where: short stacking energy: -703.261 Base-Backbone interact. energy: -6.905 local terms energy: -697.210000 where: bonds (distance) C4'-P energy: -148.979 bonds (distance) P-C4' energy: -132.801 flat angles C4'-P-C4' energy: -147.309 flat angles P-C4'-P energy: -97.603 tors. eta vs tors. theta energy: -170.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -2027.191979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.191979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.191979 (E_RNA) where: Base-Base interactions energy: -1356.015 where: short stacking energy: -607.029 Base-Backbone interact. energy: 0.990 local terms energy: -672.166585 where: bonds (distance) C4'-P energy: -145.139 bonds (distance) P-C4' energy: -124.499 flat angles C4'-P-C4' energy: -157.441 flat angles P-C4'-P energy: -104.255 tors. eta vs tors. theta energy: -140.832 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: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1959.484935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.484935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.484935 (E_RNA) where: Base-Base interactions energy: -1373.506 where: short stacking energy: -599.037 Base-Backbone interact. energy: -2.807 local terms energy: -583.171235 where: bonds (distance) C4'-P energy: -119.742 bonds (distance) P-C4' energy: -134.713 flat angles C4'-P-C4' energy: -143.501 flat angles P-C4'-P energy: -63.207 tors. eta vs tors. theta energy: -122.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1757.571303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.571303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.571303 (E_RNA) where: Base-Base interactions energy: -1219.000 where: short stacking energy: -512.376 Base-Backbone interact. energy: 1.353 local terms energy: -539.924004 where: bonds (distance) C4'-P energy: -124.784 bonds (distance) P-C4' energy: -129.464 flat angles C4'-P-C4' energy: -103.426 flat angles P-C4'-P energy: -96.149 tors. eta vs tors. theta energy: -86.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1371.287251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.287251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.287251 (E_RNA) where: Base-Base interactions energy: -844.956 where: short stacking energy: -398.427 Base-Backbone interact. energy: -1.264 local terms energy: -525.067578 where: bonds (distance) C4'-P energy: -116.043 bonds (distance) P-C4' energy: -131.624 flat angles C4'-P-C4' energy: -140.023 flat angles P-C4'-P energy: -82.812 tors. eta vs tors. theta energy: -54.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -3020.266248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.266248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.266248 (E_RNA) where: Base-Base interactions energy: -2156.901 where: short stacking energy: -910.088 Base-Backbone interact. energy: -5.442 local terms energy: -857.923342 where: bonds (distance) C4'-P energy: -156.429 bonds (distance) P-C4' energy: -151.271 flat angles C4'-P-C4' energy: -182.303 flat angles P-C4'-P energy: -122.796 tors. eta vs tors. theta energy: -245.124 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: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2866.156526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.156526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.156526 (E_RNA) where: Base-Base interactions energy: -2031.426 where: short stacking energy: -836.759 Base-Backbone interact. energy: -6.306 local terms energy: -828.424014 where: bonds (distance) C4'-P energy: -154.871 bonds (distance) P-C4' energy: -165.592 flat angles C4'-P-C4' energy: -189.863 flat angles P-C4'-P energy: -105.493 tors. eta vs tors. theta energy: -212.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2744.809139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.809139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.809139 (E_RNA) where: Base-Base interactions energy: -1907.582 where: short stacking energy: -838.365 Base-Backbone interact. energy: -3.218 local terms energy: -834.009388 where: bonds (distance) C4'-P energy: -153.915 bonds (distance) P-C4' energy: -159.497 flat angles C4'-P-C4' energy: -183.735 flat angles P-C4'-P energy: -109.338 tors. eta vs tors. theta energy: -227.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2617.817130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.817130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.817130 (E_RNA) where: Base-Base interactions energy: -1859.277 where: short stacking energy: -760.186 Base-Backbone interact. energy: -2.218 local terms energy: -756.322287 where: bonds (distance) C4'-P energy: -136.259 bonds (distance) P-C4' energy: -137.663 flat angles C4'-P-C4' energy: -182.694 flat angles P-C4'-P energy: -114.920 tors. eta vs tors. theta energy: -184.785 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: 9 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2467.205242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.205242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.205242 (E_RNA) where: Base-Base interactions energy: -1684.442 where: short stacking energy: -749.530 Base-Backbone interact. energy: 0.848 local terms energy: -783.611304 where: bonds (distance) C4'-P energy: -142.437 bonds (distance) P-C4' energy: -149.432 flat angles C4'-P-C4' energy: -170.792 flat angles P-C4'-P energy: -114.192 tors. eta vs tors. theta energy: -206.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2258.740440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.740440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.740440 (E_RNA) where: Base-Base interactions energy: -1573.069 where: short stacking energy: -682.153 Base-Backbone interact. energy: -0.041 local terms energy: -685.630674 where: bonds (distance) C4'-P energy: -122.948 bonds (distance) P-C4' energy: -151.657 flat angles C4'-P-C4' energy: -153.643 flat angles P-C4'-P energy: -100.409 tors. eta vs tors. theta energy: -156.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -2001.580899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.580899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.580899 (E_RNA) where: Base-Base interactions energy: -1344.981 where: short stacking energy: -598.202 Base-Backbone interact. energy: -3.916 local terms energy: -652.684007 where: bonds (distance) C4'-P energy: -122.140 bonds (distance) P-C4' energy: -149.098 flat angles C4'-P-C4' energy: -145.395 flat angles P-C4'-P energy: -95.988 tors. eta vs tors. theta energy: -140.063 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: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1982.788832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.788832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.788832 (E_RNA) where: Base-Base interactions energy: -1341.726 where: short stacking energy: -597.193 Base-Backbone interact. energy: 1.984 local terms energy: -643.046501 where: bonds (distance) C4'-P energy: -122.511 bonds (distance) P-C4' energy: -140.825 flat angles C4'-P-C4' energy: -153.765 flat angles P-C4'-P energy: -91.906 tors. eta vs tors. theta energy: -134.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1717.751067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.751067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.751067 (E_RNA) where: Base-Base interactions energy: -1179.323 where: short stacking energy: -525.684 Base-Backbone interact. energy: 0.162 local terms energy: -538.590484 where: bonds (distance) C4'-P energy: -101.074 bonds (distance) P-C4' energy: -116.358 flat angles C4'-P-C4' energy: -152.587 flat angles P-C4'-P energy: -70.126 tors. eta vs tors. theta energy: -98.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1404.127286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.127286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.127286 (E_RNA) where: Base-Base interactions energy: -933.687 where: short stacking energy: -469.374 Base-Backbone interact. energy: -0.152 local terms energy: -470.288051 where: bonds (distance) C4'-P energy: -94.740 bonds (distance) P-C4' energy: -132.305 flat angles C4'-P-C4' energy: -116.004 flat angles P-C4'-P energy: -53.254 tors. eta vs tors. theta energy: -73.985 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: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -3021.752178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.752178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.752178 (E_RNA) where: Base-Base interactions energy: -2151.101 where: short stacking energy: -915.583 Base-Backbone interact. energy: -2.389 local terms energy: -868.261996 where: bonds (distance) C4'-P energy: -164.849 bonds (distance) P-C4' energy: -156.762 flat angles C4'-P-C4' energy: -184.664 flat angles P-C4'-P energy: -119.901 tors. eta vs tors. theta energy: -242.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2882.740212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.740212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.740212 (E_RNA) where: Base-Base interactions energy: -2054.123 where: short stacking energy: -855.153 Base-Backbone interact. energy: -6.402 local terms energy: -822.215921 where: bonds (distance) C4'-P energy: -148.486 bonds (distance) P-C4' energy: -150.200 flat angles C4'-P-C4' energy: -177.195 flat angles P-C4'-P energy: -125.486 tors. eta vs tors. theta energy: -220.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2762.363904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.363904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.363904 (E_RNA) where: Base-Base interactions energy: -1949.182 where: short stacking energy: -854.589 Base-Backbone interact. energy: -4.857 local terms energy: -808.324080 where: bonds (distance) C4'-P energy: -152.844 bonds (distance) P-C4' energy: -148.389 flat angles C4'-P-C4' energy: -173.478 flat angles P-C4'-P energy: -114.976 tors. eta vs tors. theta energy: -218.637 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: 4, replica: 10 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2655.858910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.858910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.858910 (E_RNA) where: Base-Base interactions energy: -1874.675 where: short stacking energy: -781.889 Base-Backbone interact. energy: -1.127 local terms energy: -780.056887 where: bonds (distance) C4'-P energy: -138.900 bonds (distance) P-C4' energy: -158.383 flat angles C4'-P-C4' energy: -162.009 flat angles P-C4'-P energy: -113.552 tors. eta vs tors. theta energy: -207.214 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: 9 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2499.884042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.884042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.884042 (E_RNA) where: Base-Base interactions energy: -1699.852 where: short stacking energy: -814.695 Base-Backbone interact. energy: -0.236 local terms energy: -799.795860 where: bonds (distance) C4'-P energy: -140.212 bonds (distance) P-C4' energy: -149.989 flat angles C4'-P-C4' energy: -171.055 flat angles P-C4'-P energy: -113.559 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: 6, replica: 2 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2240.064408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.064408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.064408 (E_RNA) where: Base-Base interactions energy: -1580.104 where: short stacking energy: -691.492 Base-Backbone interact. energy: 4.028 local terms energy: -663.988783 where: bonds (distance) C4'-P energy: -133.768 bonds (distance) P-C4' energy: -124.037 flat angles C4'-P-C4' energy: -146.101 flat angles P-C4'-P energy: -93.700 tors. eta vs tors. theta energy: -166.383 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: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -2041.829402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.829402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.829402 (E_RNA) where: Base-Base interactions energy: -1426.254 where: short stacking energy: -640.359 Base-Backbone interact. energy: 3.658 local terms energy: -619.233258 where: bonds (distance) C4'-P energy: -114.848 bonds (distance) P-C4' energy: -133.329 flat angles C4'-P-C4' energy: -140.519 flat angles P-C4'-P energy: -95.067 tors. eta vs tors. theta energy: -135.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1919.124496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.124496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.124496 (E_RNA) where: Base-Base interactions energy: -1318.894 where: short stacking energy: -565.173 Base-Backbone interact. energy: 0.612 local terms energy: -600.842826 where: bonds (distance) C4'-P energy: -120.534 bonds (distance) P-C4' energy: -142.753 flat angles C4'-P-C4' energy: -141.875 flat angles P-C4'-P energy: -74.410 tors. eta vs tors. theta energy: -121.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1758.348420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.348420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.348420 (E_RNA) where: Base-Base interactions energy: -1225.179 where: short stacking energy: -552.261 Base-Backbone interact. energy: -2.922 local terms energy: -530.247313 where: bonds (distance) C4'-P energy: -125.447 bonds (distance) P-C4' energy: -116.898 flat angles C4'-P-C4' energy: -141.747 flat angles P-C4'-P energy: -52.812 tors. eta vs tors. theta energy: -93.343 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: 6 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1449.548721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.548721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.548721 (E_RNA) where: Base-Base interactions energy: -947.587 where: short stacking energy: -423.798 Base-Backbone interact. energy: -2.388 local terms energy: -499.574374 where: bonds (distance) C4'-P energy: -105.816 bonds (distance) P-C4' energy: -127.059 flat angles C4'-P-C4' energy: -129.965 flat angles P-C4'-P energy: -66.367 tors. eta vs tors. theta energy: -70.367 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: 1, replica: 7 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -3047.648284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.648284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.648284 (E_RNA) where: Base-Base interactions energy: -2186.234 where: short stacking energy: -909.193 Base-Backbone interact. energy: -3.075 local terms energy: -858.339637 where: bonds (distance) C4'-P energy: -140.649 bonds (distance) P-C4' energy: -175.863 flat angles C4'-P-C4' energy: -165.174 flat angles P-C4'-P energy: -137.503 tors. eta vs tors. theta energy: -239.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2896.590676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.590676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.590676 (E_RNA) where: Base-Base interactions energy: -2051.175 where: short stacking energy: -863.509 Base-Backbone interact. energy: -4.294 local terms energy: -841.121450 where: bonds (distance) C4'-P energy: -163.462 bonds (distance) P-C4' energy: -155.359 flat angles C4'-P-C4' energy: -188.406 flat angles P-C4'-P energy: -113.550 tors. eta vs tors. theta energy: -220.345 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: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2820.031301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.031301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.031301 (E_RNA) where: Base-Base interactions energy: -1996.347 where: short stacking energy: -830.696 Base-Backbone interact. energy: -3.887 local terms energy: -819.797316 where: bonds (distance) C4'-P energy: -153.944 bonds (distance) P-C4' energy: -141.299 flat angles C4'-P-C4' energy: -184.454 flat angles P-C4'-P energy: -113.658 tors. eta vs tors. theta energy: -226.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2613.286299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.286299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.286299 (E_RNA) where: Base-Base interactions energy: -1862.976 where: short stacking energy: -783.574 Base-Backbone interact. energy: -1.507 local terms energy: -748.803783 where: bonds (distance) C4'-P energy: -132.076 bonds (distance) P-C4' energy: -155.378 flat angles C4'-P-C4' energy: -159.623 flat angles P-C4'-P energy: -113.250 tors. eta vs tors. theta energy: -188.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2444.129722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.129722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.129722 (E_RNA) where: Base-Base interactions energy: -1710.648 where: short stacking energy: -759.641 Base-Backbone interact. energy: 3.757 local terms energy: -737.239080 where: bonds (distance) C4'-P energy: -152.357 bonds (distance) P-C4' energy: -153.709 flat angles C4'-P-C4' energy: -142.228 flat angles P-C4'-P energy: -91.130 tors. eta vs tors. theta energy: -197.815 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: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2202.824568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.824568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.824568 (E_RNA) where: Base-Base interactions energy: -1507.656 where: short stacking energy: -644.733 Base-Backbone interact. energy: -3.882 local terms energy: -691.286232 where: bonds (distance) C4'-P energy: -136.816 bonds (distance) P-C4' energy: -136.741 flat angles C4'-P-C4' energy: -168.786 flat angles P-C4'-P energy: -100.326 tors. eta vs tors. theta energy: -148.616 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: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -2038.508884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.508884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.508884 (E_RNA) where: Base-Base interactions energy: -1401.910 where: short stacking energy: -634.327 Base-Backbone interact. energy: -0.670 local terms energy: -635.928805 where: bonds (distance) C4'-P energy: -114.183 bonds (distance) P-C4' energy: -133.376 flat angles C4'-P-C4' energy: -149.140 flat angles P-C4'-P energy: -87.299 tors. eta vs tors. theta energy: -151.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1950.186979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.186979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.186979 (E_RNA) where: Base-Base interactions energy: -1326.340 where: short stacking energy: -563.883 Base-Backbone interact. energy: -0.509 local terms energy: -623.338230 where: bonds (distance) C4'-P energy: -134.340 bonds (distance) P-C4' energy: -137.722 flat angles C4'-P-C4' energy: -146.779 flat angles P-C4'-P energy: -87.721 tors. eta vs tors. theta energy: -116.776 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: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1744.676648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.676648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.676648 (E_RNA) where: Base-Base interactions energy: -1173.432 where: short stacking energy: -505.694 Base-Backbone interact. energy: 8.267 local terms energy: -579.511765 where: bonds (distance) C4'-P energy: -121.070 bonds (distance) P-C4' energy: -127.785 flat angles C4'-P-C4' energy: -148.845 flat angles P-C4'-P energy: -91.439 tors. eta vs tors. theta energy: -90.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1426.439363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.439363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.439363 (E_RNA) where: Base-Base interactions energy: -910.136 where: short stacking energy: -424.669 Base-Backbone interact. energy: -0.366 local terms energy: -515.937978 where: bonds (distance) C4'-P energy: -112.068 bonds (distance) P-C4' energy: -135.352 flat angles C4'-P-C4' energy: -109.569 flat angles P-C4'-P energy: -76.735 tors. eta vs tors. theta energy: -82.215 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: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2999.976674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.976674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.976674 (E_RNA) where: Base-Base interactions energy: -2102.677 where: short stacking energy: -912.758 Base-Backbone interact. energy: -4.255 local terms energy: -893.044677 where: bonds (distance) C4'-P energy: -164.706 bonds (distance) P-C4' energy: -169.896 flat angles C4'-P-C4' energy: -188.452 flat angles P-C4'-P energy: -126.408 tors. eta vs tors. theta energy: -243.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2905.654659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.654659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.654659 (E_RNA) where: Base-Base interactions energy: -2059.485 where: short stacking energy: -865.440 Base-Backbone interact. energy: -6.443 local terms energy: -839.726419 where: bonds (distance) C4'-P energy: -150.771 bonds (distance) P-C4' energy: -171.718 flat angles C4'-P-C4' energy: -184.816 flat angles P-C4'-P energy: -123.216 tors. eta vs tors. theta energy: -209.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2743.088137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.088137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.088137 (E_RNA) where: Base-Base interactions energy: -1925.299 where: short stacking energy: -815.193 Base-Backbone interact. energy: -3.665 local terms energy: -814.124192 where: bonds (distance) C4'-P energy: -150.527 bonds (distance) P-C4' energy: -161.899 flat angles C4'-P-C4' energy: -169.216 flat angles P-C4'-P energy: -108.746 tors. eta vs tors. theta energy: -223.735 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: 4, replica: 10 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2623.565739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.565739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.565739 (E_RNA) where: Base-Base interactions energy: -1864.499 where: short stacking energy: -791.139 Base-Backbone interact. energy: 1.415 local terms energy: -760.482262 where: bonds (distance) C4'-P energy: -136.588 bonds (distance) P-C4' energy: -141.577 flat angles C4'-P-C4' energy: -174.383 flat angles P-C4'-P energy: -111.786 tors. eta vs tors. theta energy: -196.148 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: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2451.539308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.539308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.539308 (E_RNA) where: Base-Base interactions energy: -1699.686 where: short stacking energy: -773.080 Base-Backbone interact. energy: -2.054 local terms energy: -749.799122 where: bonds (distance) C4'-P energy: -138.746 bonds (distance) P-C4' energy: -147.137 flat angles C4'-P-C4' energy: -159.630 flat angles P-C4'-P energy: -104.499 tors. eta vs tors. theta energy: -199.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2232.288999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.288999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.288999 (E_RNA) where: Base-Base interactions energy: -1534.715 where: short stacking energy: -695.382 Base-Backbone interact. energy: -4.136 local terms energy: -693.438313 where: bonds (distance) C4'-P energy: -128.350 bonds (distance) P-C4' energy: -150.734 flat angles C4'-P-C4' energy: -135.477 flat angles P-C4'-P energy: -108.752 tors. eta vs tors. theta energy: -170.125 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: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -2025.411172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.411172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.411172 (E_RNA) where: Base-Base interactions energy: -1363.141 where: short stacking energy: -603.313 Base-Backbone interact. energy: -2.350 local terms energy: -659.919977 where: bonds (distance) C4'-P energy: -141.315 bonds (distance) P-C4' energy: -132.607 flat angles C4'-P-C4' energy: -158.882 flat angles P-C4'-P energy: -98.470 tors. eta vs tors. theta energy: -128.646 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: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1908.997802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.997802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.997802 (E_RNA) where: Base-Base interactions energy: -1279.539 where: short stacking energy: -558.045 Base-Backbone interact. energy: 0.982 local terms energy: -630.440613 where: bonds (distance) C4'-P energy: -128.823 bonds (distance) P-C4' energy: -147.920 flat angles C4'-P-C4' energy: -141.065 flat angles P-C4'-P energy: -100.885 tors. eta vs tors. theta energy: -111.747 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: 9, replica: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1674.824237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.824237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.824237 (E_RNA) where: Base-Base interactions energy: -1111.397 where: short stacking energy: -490.133 Base-Backbone interact. energy: -3.234 local terms energy: -560.193425 where: bonds (distance) C4'-P energy: -130.141 bonds (distance) P-C4' energy: -130.718 flat angles C4'-P-C4' energy: -121.681 flat angles P-C4'-P energy: -91.147 tors. eta vs tors. theta energy: -86.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1481.092780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.092780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.092780 (E_RNA) where: Base-Base interactions energy: -953.957 where: short stacking energy: -442.028 Base-Backbone interact. energy: -4.465 local terms energy: -522.670487 where: bonds (distance) C4'-P energy: -128.050 bonds (distance) P-C4' energy: -130.452 flat angles C4'-P-C4' energy: -131.405 flat angles P-C4'-P energy: -63.730 tors. eta vs tors. theta energy: -69.034 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: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -3019.092896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.092896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.092896 (E_RNA) where: Base-Base interactions energy: -2145.500 where: short stacking energy: -895.513 Base-Backbone interact. energy: -2.760 local terms energy: -870.832725 where: bonds (distance) C4'-P energy: -155.190 bonds (distance) P-C4' energy: -147.995 flat angles C4'-P-C4' energy: -193.076 flat angles P-C4'-P energy: -134.948 tors. eta vs tors. theta energy: -239.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2895.993054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.993054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.993054 (E_RNA) where: Base-Base interactions energy: -2056.458 where: short stacking energy: -857.897 Base-Backbone interact. energy: -4.034 local terms energy: -835.500398 where: bonds (distance) C4'-P energy: -143.499 bonds (distance) P-C4' energy: -165.638 flat angles C4'-P-C4' energy: -178.591 flat angles P-C4'-P energy: -128.877 tors. eta vs tors. theta energy: -218.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2736.972811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.972811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.972811 (E_RNA) where: Base-Base interactions energy: -1917.273 where: short stacking energy: -816.725 Base-Backbone interact. energy: -4.077 local terms energy: -815.623083 where: bonds (distance) C4'-P energy: -155.781 bonds (distance) P-C4' energy: -163.381 flat angles C4'-P-C4' energy: -173.355 flat angles P-C4'-P energy: -106.831 tors. eta vs tors. theta energy: -216.275 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: 165 Temperature: 1.050000 Total energy: -2610.364935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.364935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.364935 (E_RNA) where: Base-Base interactions energy: -1862.956 where: short stacking energy: -767.312 Base-Backbone interact. energy: -0.995 local terms energy: -746.414069 where: bonds (distance) C4'-P energy: -134.539 bonds (distance) P-C4' energy: -151.314 flat angles C4'-P-C4' energy: -162.896 flat angles P-C4'-P energy: -110.854 tors. eta vs tors. theta energy: -186.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2328.049199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.049199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.049199 (E_RNA) where: Base-Base interactions energy: -1626.022 where: short stacking energy: -739.588 Base-Backbone interact. energy: 0.985 local terms energy: -703.012531 where: bonds (distance) C4'-P energy: -128.966 bonds (distance) P-C4' energy: -140.567 flat angles C4'-P-C4' energy: -162.756 flat angles P-C4'-P energy: -98.498 tors. eta vs tors. theta energy: -172.225 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: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2205.051147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.051147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.051147 (E_RNA) where: Base-Base interactions energy: -1544.112 where: short stacking energy: -659.523 Base-Backbone interact. energy: 0.651 local terms energy: -661.590151 where: bonds (distance) C4'-P energy: -131.657 bonds (distance) P-C4' energy: -128.143 flat angles C4'-P-C4' energy: -152.790 flat angles P-C4'-P energy: -94.900 tors. eta vs tors. theta energy: -154.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1989.742747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.742747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.742747 (E_RNA) where: Base-Base interactions energy: -1355.789 where: short stacking energy: -571.336 Base-Backbone interact. energy: 5.501 local terms energy: -639.454723 where: bonds (distance) C4'-P energy: -142.448 bonds (distance) P-C4' energy: -132.667 flat angles C4'-P-C4' energy: -156.229 flat angles P-C4'-P energy: -83.651 tors. eta vs tors. theta energy: -124.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1912.957952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.957952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.957952 (E_RNA) where: Base-Base interactions energy: -1319.191 where: short stacking energy: -581.306 Base-Backbone interact. energy: 2.460 local terms energy: -596.227514 where: bonds (distance) C4'-P energy: -116.234 bonds (distance) P-C4' energy: -136.333 flat angles C4'-P-C4' energy: -133.580 flat angles P-C4'-P energy: -89.768 tors. eta vs tors. theta energy: -120.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1683.874881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.874881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.874881 (E_RNA) where: Base-Base interactions energy: -1120.199 where: short stacking energy: -517.353 Base-Backbone interact. energy: 3.277 local terms energy: -566.953287 where: bonds (distance) C4'-P energy: -100.111 bonds (distance) P-C4' energy: -136.405 flat angles C4'-P-C4' energy: -140.082 flat angles P-C4'-P energy: -75.742 tors. eta vs tors. theta energy: -114.614 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: 6 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1480.189557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.189557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.189557 (E_RNA) where: Base-Base interactions energy: -962.912 where: short stacking energy: -446.650 Base-Backbone interact. energy: -3.910 local terms energy: -513.368103 where: bonds (distance) C4'-P energy: -131.615 bonds (distance) P-C4' energy: -124.191 flat angles C4'-P-C4' energy: -102.219 flat angles P-C4'-P energy: -74.973 tors. eta vs tors. theta energy: -80.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -3023.908537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.908537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.908537 (E_RNA) where: Base-Base interactions energy: -2155.680 where: short stacking energy: -895.373 Base-Backbone interact. energy: -4.735 local terms energy: -863.493380 where: bonds (distance) C4'-P energy: -154.086 bonds (distance) P-C4' energy: -171.788 flat angles C4'-P-C4' energy: -182.974 flat angles P-C4'-P energy: -122.875 tors. eta vs tors. theta energy: -231.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2935.032436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.032436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.032436 (E_RNA) where: Base-Base interactions energy: -2103.702 where: short stacking energy: -871.328 Base-Backbone interact. energy: -1.022 local terms energy: -830.308240 where: bonds (distance) C4'-P energy: -142.945 bonds (distance) P-C4' energy: -156.169 flat angles C4'-P-C4' energy: -194.524 flat angles P-C4'-P energy: -116.476 tors. eta vs tors. theta energy: -220.195 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: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2733.467623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.467623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.467623 (E_RNA) where: Base-Base interactions energy: -1940.163 where: short stacking energy: -819.547 Base-Backbone interact. energy: -2.361 local terms energy: -790.944556 where: bonds (distance) C4'-P energy: -136.436 bonds (distance) P-C4' energy: -137.976 flat angles C4'-P-C4' energy: -174.171 flat angles P-C4'-P energy: -120.865 tors. eta vs tors. theta energy: -221.496 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: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2636.111716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.111716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.111716 (E_RNA) where: Base-Base interactions energy: -1866.989 where: short stacking energy: -770.606 Base-Backbone interact. energy: -4.999 local terms energy: -764.124188 where: bonds (distance) C4'-P energy: -149.395 bonds (distance) P-C4' energy: -158.005 flat angles C4'-P-C4' energy: -170.479 flat angles P-C4'-P energy: -103.668 tors. eta vs tors. theta energy: -182.578 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: 9 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2317.692643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.692643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.692643 (E_RNA) where: Base-Base interactions energy: -1617.936 where: short stacking energy: -695.900 Base-Backbone interact. energy: -2.504 local terms energy: -697.252632 where: bonds (distance) C4'-P energy: -138.989 bonds (distance) P-C4' energy: -137.617 flat angles C4'-P-C4' energy: -168.732 flat angles P-C4'-P energy: -94.050 tors. eta vs tors. theta energy: -157.865 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: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2172.084066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.084066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.084066 (E_RNA) where: Base-Base interactions energy: -1478.392 where: short stacking energy: -599.547 Base-Backbone interact. energy: 0.210 local terms energy: -693.901502 where: bonds (distance) C4'-P energy: -153.873 bonds (distance) P-C4' energy: -139.926 flat angles C4'-P-C4' energy: -152.283 flat angles P-C4'-P energy: -98.287 tors. eta vs tors. theta energy: -149.533 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: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -2069.046346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.046346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.046346 (E_RNA) where: Base-Base interactions energy: -1394.594 where: short stacking energy: -649.719 Base-Backbone interact. energy: -2.200 local terms energy: -672.251846 where: bonds (distance) C4'-P energy: -139.395 bonds (distance) P-C4' energy: -131.596 flat angles C4'-P-C4' energy: -149.046 flat angles P-C4'-P energy: -100.509 tors. eta vs tors. theta energy: -151.707 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: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1951.404932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.404932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.404932 (E_RNA) where: Base-Base interactions energy: -1348.669 where: short stacking energy: -603.922 Base-Backbone interact. energy: -2.004 local terms energy: -600.731910 where: bonds (distance) C4'-P energy: -138.835 bonds (distance) P-C4' energy: -123.665 flat angles C4'-P-C4' energy: -135.362 flat angles P-C4'-P energy: -92.754 tors. eta vs tors. theta energy: -110.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1578.893737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.893737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.893737 (E_RNA) where: Base-Base interactions energy: -1043.179 where: short stacking energy: -449.515 Base-Backbone interact. energy: -1.964 local terms energy: -533.751519 where: bonds (distance) C4'-P energy: -118.009 bonds (distance) P-C4' energy: -128.297 flat angles C4'-P-C4' energy: -129.516 flat angles P-C4'-P energy: -79.386 tors. eta vs tors. theta energy: -78.543 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: 6 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1411.996620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.996620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.996620 (E_RNA) where: Base-Base interactions energy: -938.381 where: short stacking energy: -435.653 Base-Backbone interact. energy: 3.440 local terms energy: -477.056187 where: bonds (distance) C4'-P energy: -113.371 bonds (distance) P-C4' energy: -113.787 flat angles C4'-P-C4' energy: -122.069 flat angles P-C4'-P energy: -61.380 tors. eta vs tors. theta energy: -66.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -3017.305654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.305654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.305654 (E_RNA) where: Base-Base interactions energy: -2136.685 where: short stacking energy: -872.282 Base-Backbone interact. energy: -2.955 local terms energy: -877.666054 where: bonds (distance) C4'-P energy: -158.407 bonds (distance) P-C4' energy: -176.766 flat angles C4'-P-C4' energy: -186.674 flat angles P-C4'-P energy: -124.381 tors. eta vs tors. theta energy: -231.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2927.061131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.061131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.061131 (E_RNA) where: Base-Base interactions energy: -2084.022 where: short stacking energy: -861.017 Base-Backbone interact. energy: -2.760 local terms energy: -840.279716 where: bonds (distance) C4'-P energy: -151.302 bonds (distance) P-C4' energy: -161.507 flat angles C4'-P-C4' energy: -193.783 flat angles P-C4'-P energy: -113.620 tors. eta vs tors. theta energy: -220.068 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: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2724.157754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.157754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.157754 (E_RNA) where: Base-Base interactions energy: -1910.876 where: short stacking energy: -827.767 Base-Backbone interact. energy: -3.951 local terms energy: -809.330395 where: bonds (distance) C4'-P energy: -160.042 bonds (distance) P-C4' energy: -155.548 flat angles C4'-P-C4' energy: -169.259 flat angles P-C4'-P energy: -108.807 tors. eta vs tors. theta energy: -215.675 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: 167 Temperature: 1.050000 Total energy: -2671.978563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.978563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.978563 (E_RNA) where: Base-Base interactions energy: -1901.663 where: short stacking energy: -788.313 Base-Backbone interact. energy: -3.467 local terms energy: -766.848592 where: bonds (distance) C4'-P energy: -138.000 bonds (distance) P-C4' energy: -150.834 flat angles C4'-P-C4' energy: -175.768 flat angles P-C4'-P energy: -117.229 tors. eta vs tors. theta energy: -185.018 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: 9 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2393.280054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.280054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.280054 (E_RNA) where: Base-Base interactions energy: -1667.629 where: short stacking energy: -727.257 Base-Backbone interact. energy: -2.207 local terms energy: -723.444061 where: bonds (distance) C4'-P energy: -152.175 bonds (distance) P-C4' energy: -144.363 flat angles C4'-P-C4' energy: -156.655 flat angles P-C4'-P energy: -98.987 tors. eta vs tors. theta energy: -171.263 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: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2262.057334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.057334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.057334 (E_RNA) where: Base-Base interactions energy: -1527.523 where: short stacking energy: -669.385 Base-Backbone interact. energy: -2.035 local terms energy: -732.498708 where: bonds (distance) C4'-P energy: -143.162 bonds (distance) P-C4' energy: -159.642 flat angles C4'-P-C4' energy: -165.706 flat angles P-C4'-P energy: -97.725 tors. eta vs tors. theta energy: -166.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -2053.741255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.741255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.741255 (E_RNA) where: Base-Base interactions energy: -1408.142 where: short stacking energy: -640.916 Base-Backbone interact. energy: -0.954 local terms energy: -644.645065 where: bonds (distance) C4'-P energy: -124.229 bonds (distance) P-C4' energy: -118.306 flat angles C4'-P-C4' energy: -142.368 flat angles P-C4'-P energy: -100.223 tors. eta vs tors. theta energy: -159.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1946.130461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.130461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.130461 (E_RNA) where: Base-Base interactions energy: -1335.276 where: short stacking energy: -570.239 Base-Backbone interact. energy: -1.910 local terms energy: -608.943982 where: bonds (distance) C4'-P energy: -120.400 bonds (distance) P-C4' energy: -129.047 flat angles C4'-P-C4' energy: -133.313 flat angles P-C4'-P energy: -99.393 tors. eta vs tors. theta energy: -126.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1657.061743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.061743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.061743 (E_RNA) where: Base-Base interactions energy: -1123.929 where: short stacking energy: -477.040 Base-Backbone interact. energy: 1.915 local terms energy: -535.047929 where: bonds (distance) C4'-P energy: -102.298 bonds (distance) P-C4' energy: -136.078 flat angles C4'-P-C4' energy: -132.216 flat angles P-C4'-P energy: -80.790 tors. eta vs tors. theta energy: -83.665 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: 6 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1392.067538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.067538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.067538 (E_RNA) where: Base-Base interactions energy: -905.820 where: short stacking energy: -435.570 Base-Backbone interact. energy: 3.063 local terms energy: -489.310002 where: bonds (distance) C4'-P energy: -111.830 bonds (distance) P-C4' energy: -106.573 flat angles C4'-P-C4' energy: -118.583 flat angles P-C4'-P energy: -71.152 tors. eta vs tors. theta energy: -81.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -3016.460403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.460403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.460403 (E_RNA) where: Base-Base interactions energy: -2158.007 where: short stacking energy: -871.306 Base-Backbone interact. energy: -7.616 local terms energy: -850.837779 where: bonds (distance) C4'-P energy: -155.488 bonds (distance) P-C4' energy: -155.920 flat angles C4'-P-C4' energy: -179.141 flat angles P-C4'-P energy: -126.528 tors. eta vs tors. theta energy: -233.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2866.289525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.289525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.289525 (E_RNA) where: Base-Base interactions energy: -2046.052 where: short stacking energy: -859.148 Base-Backbone interact. energy: 3.870 local terms energy: -824.107408 where: bonds (distance) C4'-P energy: -147.289 bonds (distance) P-C4' energy: -150.016 flat angles C4'-P-C4' energy: -184.709 flat angles P-C4'-P energy: -119.609 tors. eta vs tors. theta energy: -222.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2726.091275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.091275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.091275 (E_RNA) where: Base-Base interactions energy: -1952.997 where: short stacking energy: -825.125 Base-Backbone interact. energy: 1.306 local terms energy: -774.400785 where: bonds (distance) C4'-P energy: -150.986 bonds (distance) P-C4' energy: -145.788 flat angles C4'-P-C4' energy: -168.437 flat angles P-C4'-P energy: -116.836 tors. eta vs tors. theta energy: -192.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2664.415271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.415271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.415271 (E_RNA) where: Base-Base interactions energy: -1889.301 where: short stacking energy: -812.908 Base-Backbone interact. energy: -1.780 local terms energy: -773.333695 where: bonds (distance) C4'-P energy: -141.968 bonds (distance) P-C4' energy: -140.178 flat angles C4'-P-C4' energy: -165.760 flat angles P-C4'-P energy: -100.333 tors. eta vs tors. theta energy: -225.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2389.885907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.885907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.885907 (E_RNA) where: Base-Base interactions energy: -1667.785 where: short stacking energy: -733.768 Base-Backbone interact. energy: -5.322 local terms energy: -716.778406 where: bonds (distance) C4'-P energy: -133.060 bonds (distance) P-C4' energy: -137.319 flat angles C4'-P-C4' energy: -169.620 flat angles P-C4'-P energy: -96.672 tors. eta vs tors. theta energy: -180.108 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: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2254.879108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.879108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.879108 (E_RNA) where: Base-Base interactions energy: -1573.966 where: short stacking energy: -701.753 Base-Backbone interact. energy: 2.734 local terms energy: -683.647479 where: bonds (distance) C4'-P energy: -135.469 bonds (distance) P-C4' energy: -133.187 flat angles C4'-P-C4' energy: -149.581 flat angles P-C4'-P energy: -87.423 tors. eta vs tors. theta energy: -177.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1992.896127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.896127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.896127 (E_RNA) where: Base-Base interactions energy: -1307.958 where: short stacking energy: -598.313 Base-Backbone interact. energy: -2.461 local terms energy: -682.477934 where: bonds (distance) C4'-P energy: -130.655 bonds (distance) P-C4' energy: -150.529 flat angles C4'-P-C4' energy: -157.590 flat angles P-C4'-P energy: -96.824 tors. eta vs tors. theta energy: -146.881 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: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1966.622150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.622150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.622150 (E_RNA) where: Base-Base interactions energy: -1365.548 where: short stacking energy: -619.930 Base-Backbone interact. energy: -4.425 local terms energy: -596.649533 where: bonds (distance) C4'-P energy: -123.526 bonds (distance) P-C4' energy: -129.551 flat angles C4'-P-C4' energy: -135.946 flat angles P-C4'-P energy: -79.362 tors. eta vs tors. theta energy: -128.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1644.768112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.768112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.768112 (E_RNA) where: Base-Base interactions energy: -1066.592 where: short stacking energy: -474.126 Base-Backbone interact. energy: -2.469 local terms energy: -575.706951 where: bonds (distance) C4'-P energy: -137.490 bonds (distance) P-C4' energy: -128.711 flat angles C4'-P-C4' energy: -133.565 flat angles P-C4'-P energy: -84.804 tors. eta vs tors. theta energy: -91.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1423.641948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.641948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.641948 (E_RNA) where: Base-Base interactions energy: -876.324 where: short stacking energy: -395.178 Base-Backbone interact. energy: 2.620 local terms energy: -549.937901 where: bonds (distance) C4'-P energy: -131.738 bonds (distance) P-C4' energy: -129.370 flat angles C4'-P-C4' energy: -127.097 flat angles P-C4'-P energy: -89.581 tors. eta vs tors. theta energy: -72.153 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: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2998.350624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.350624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.350624 (E_RNA) where: Base-Base interactions energy: -2145.058 where: short stacking energy: -898.072 Base-Backbone interact. energy: 4.799 local terms energy: -858.091742 where: bonds (distance) C4'-P energy: -166.341 bonds (distance) P-C4' energy: -155.974 flat angles C4'-P-C4' energy: -181.804 flat angles P-C4'-P energy: -115.570 tors. eta vs tors. theta energy: -238.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2883.670562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.670562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.670562 (E_RNA) where: Base-Base interactions energy: -2064.205 where: short stacking energy: -862.699 Base-Backbone interact. energy: -3.235 local terms energy: -816.230546 where: bonds (distance) C4'-P energy: -153.244 bonds (distance) P-C4' energy: -147.622 flat angles C4'-P-C4' energy: -170.969 flat angles P-C4'-P energy: -129.536 tors. eta vs tors. theta energy: -214.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2743.624592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.624592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.624592 (E_RNA) where: Base-Base interactions energy: -1979.195 where: short stacking energy: -815.465 Base-Backbone interact. energy: -1.387 local terms energy: -763.042490 where: bonds (distance) C4'-P energy: -123.022 bonds (distance) P-C4' energy: -140.486 flat angles C4'-P-C4' energy: -190.089 flat angles P-C4'-P energy: -114.823 tors. eta vs tors. theta energy: -194.622 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: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2664.597523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.597523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.597523 (E_RNA) where: Base-Base interactions energy: -1875.469 where: short stacking energy: -816.988 Base-Backbone interact. energy: -3.171 local terms energy: -785.957658 where: bonds (distance) C4'-P energy: -137.009 bonds (distance) P-C4' energy: -151.186 flat angles C4'-P-C4' energy: -171.403 flat angles P-C4'-P energy: -102.770 tors. eta vs tors. theta energy: -223.589 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: 9 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2400.264629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.264629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.264629 (E_RNA) where: Base-Base interactions energy: -1697.695 where: short stacking energy: -730.880 Base-Backbone interact. energy: 6.758 local terms energy: -709.327963 where: bonds (distance) C4'-P energy: -145.160 bonds (distance) P-C4' energy: -140.914 flat angles C4'-P-C4' energy: -156.117 flat angles P-C4'-P energy: -98.171 tors. eta vs tors. theta energy: -168.967 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: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2187.169047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.169047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.169047 (E_RNA) where: Base-Base interactions energy: -1514.133 where: short stacking energy: -653.000 Base-Backbone interact. energy: 1.796 local terms energy: -674.832362 where: bonds (distance) C4'-P energy: -134.304 bonds (distance) P-C4' energy: -139.139 flat angles C4'-P-C4' energy: -160.848 flat angles P-C4'-P energy: -91.258 tors. eta vs tors. theta energy: -149.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -2058.959497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.959497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.959497 (E_RNA) where: Base-Base interactions energy: -1387.384 where: short stacking energy: -617.209 Base-Backbone interact. energy: -2.814 local terms energy: -668.762009 where: bonds (distance) C4'-P energy: -144.610 bonds (distance) P-C4' energy: -133.042 flat angles C4'-P-C4' energy: -148.556 flat angles P-C4'-P energy: -84.446 tors. eta vs tors. theta energy: -158.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1954.522442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.522442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.522442 (E_RNA) where: Base-Base interactions energy: -1329.866 where: short stacking energy: -606.239 Base-Backbone interact. energy: -2.530 local terms energy: -622.126400 where: bonds (distance) C4'-P energy: -116.999 bonds (distance) P-C4' energy: -136.309 flat angles C4'-P-C4' energy: -126.252 flat angles P-C4'-P energy: -89.553 tors. eta vs tors. theta energy: -153.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1659.061298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.061298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.061298 (E_RNA) where: Base-Base interactions energy: -1110.915 where: short stacking energy: -490.256 Base-Backbone interact. energy: -1.772 local terms energy: -546.374110 where: bonds (distance) C4'-P energy: -117.219 bonds (distance) P-C4' energy: -123.619 flat angles C4'-P-C4' energy: -142.573 flat angles P-C4'-P energy: -91.599 tors. eta vs tors. theta energy: -71.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1453.847999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.847999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.847999 (E_RNA) where: Base-Base interactions energy: -942.023 where: short stacking energy: -414.215 Base-Backbone interact. energy: -2.018 local terms energy: -509.807134 where: bonds (distance) C4'-P energy: -115.584 bonds (distance) P-C4' energy: -115.962 flat angles C4'-P-C4' energy: -129.629 flat angles P-C4'-P energy: -75.762 tors. eta vs tors. theta energy: -72.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2992.267466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.267466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.267466 (E_RNA) where: Base-Base interactions energy: -2121.533 where: short stacking energy: -877.176 Base-Backbone interact. energy: -4.998 local terms energy: -865.736199 where: bonds (distance) C4'-P energy: -158.126 bonds (distance) P-C4' energy: -150.861 flat angles C4'-P-C4' energy: -182.500 flat angles P-C4'-P energy: -133.372 tors. eta vs tors. theta energy: -240.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2868.010547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.010547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.010547 (E_RNA) where: Base-Base interactions energy: -2029.611 where: short stacking energy: -835.311 Base-Backbone interact. energy: -1.402 local terms energy: -836.996931 where: bonds (distance) C4'-P energy: -163.776 bonds (distance) P-C4' energy: -161.087 flat angles C4'-P-C4' energy: -181.353 flat angles P-C4'-P energy: -122.303 tors. eta vs tors. theta energy: -208.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2763.995355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.995355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.995355 (E_RNA) where: Base-Base interactions energy: -1971.291 where: short stacking energy: -825.022 Base-Backbone interact. energy: -2.421 local terms energy: -790.283057 where: bonds (distance) C4'-P energy: -154.008 bonds (distance) P-C4' energy: -163.028 flat angles C4'-P-C4' energy: -167.158 flat angles P-C4'-P energy: -110.005 tors. eta vs tors. theta energy: -196.085 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: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2643.781640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.781640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.781640 (E_RNA) where: Base-Base interactions energy: -1868.275 where: short stacking energy: -807.093 Base-Backbone interact. energy: -1.793 local terms energy: -773.713431 where: bonds (distance) C4'-P energy: -130.092 bonds (distance) P-C4' energy: -157.681 flat angles C4'-P-C4' energy: -163.158 flat angles P-C4'-P energy: -103.308 tors. eta vs tors. theta energy: -219.475 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: 9 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2394.794482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.794482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.794482 (E_RNA) where: Base-Base interactions energy: -1658.261 where: short stacking energy: -692.268 Base-Backbone interact. energy: 5.556 local terms energy: -742.089555 where: bonds (distance) C4'-P energy: -135.442 bonds (distance) P-C4' energy: -134.793 flat angles C4'-P-C4' energy: -170.260 flat angles P-C4'-P energy: -116.800 tors. eta vs tors. theta energy: -184.795 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: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2225.871984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.871984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.871984 (E_RNA) where: Base-Base interactions energy: -1522.091 where: short stacking energy: -682.972 Base-Backbone interact. energy: -1.691 local terms energy: -702.089531 where: bonds (distance) C4'-P energy: -138.432 bonds (distance) P-C4' energy: -126.666 flat angles C4'-P-C4' energy: -168.360 flat angles P-C4'-P energy: -102.158 tors. eta vs tors. theta energy: -166.473 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: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -2101.145503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.145503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.145503 (E_RNA) where: Base-Base interactions energy: -1452.197 where: short stacking energy: -640.592 Base-Backbone interact. energy: -1.491 local terms energy: -647.457799 where: bonds (distance) C4'-P energy: -116.154 bonds (distance) P-C4' energy: -140.146 flat angles C4'-P-C4' energy: -152.691 flat angles P-C4'-P energy: -82.158 tors. eta vs tors. theta energy: -156.309 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: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1960.360644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.360644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.360644 (E_RNA) where: Base-Base interactions energy: -1329.869 where: short stacking energy: -599.813 Base-Backbone interact. energy: -1.462 local terms energy: -629.030182 where: bonds (distance) C4'-P energy: -114.842 bonds (distance) P-C4' energy: -128.054 flat angles C4'-P-C4' energy: -169.128 flat angles P-C4'-P energy: -78.334 tors. eta vs tors. theta energy: -138.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1717.871841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.871841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.871841 (E_RNA) where: Base-Base interactions energy: -1194.402 where: short stacking energy: -505.173 Base-Backbone interact. energy: 1.188 local terms energy: -524.657838 where: bonds (distance) C4'-P energy: -119.485 bonds (distance) P-C4' energy: -129.124 flat angles C4'-P-C4' energy: -112.062 flat angles P-C4'-P energy: -76.146 tors. eta vs tors. theta energy: -87.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1456.128156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.128156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.128156 (E_RNA) where: Base-Base interactions energy: -954.635 where: short stacking energy: -413.520 Base-Backbone interact. energy: 0.049 local terms energy: -501.542615 where: bonds (distance) C4'-P energy: -131.184 bonds (distance) P-C4' energy: -133.684 flat angles C4'-P-C4' energy: -111.949 flat angles P-C4'-P energy: -58.967 tors. eta vs tors. theta energy: -65.758 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: 7 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3032.463897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.463897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.463897 (E_RNA) where: Base-Base interactions energy: -2155.908 where: short stacking energy: -898.298 Base-Backbone interact. energy: -6.433 local terms energy: -870.123195 where: bonds (distance) C4'-P energy: -163.788 bonds (distance) P-C4' energy: -145.763 flat angles C4'-P-C4' energy: -194.813 flat angles P-C4'-P energy: -128.581 tors. eta vs tors. theta energy: -237.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2883.640929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.640929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.640929 (E_RNA) where: Base-Base interactions energy: -2065.715 where: short stacking energy: -876.631 Base-Backbone interact. energy: -5.118 local terms energy: -812.807065 where: bonds (distance) C4'-P energy: -154.571 bonds (distance) P-C4' energy: -153.558 flat angles C4'-P-C4' energy: -164.001 flat angles P-C4'-P energy: -121.512 tors. eta vs tors. theta energy: -219.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2738.869864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.869864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.869864 (E_RNA) where: Base-Base interactions energy: -1976.788 where: short stacking energy: -808.861 Base-Backbone interact. energy: -2.043 local terms energy: -760.038921 where: bonds (distance) C4'-P energy: -139.295 bonds (distance) P-C4' energy: -151.059 flat angles C4'-P-C4' energy: -176.675 flat angles P-C4'-P energy: -96.235 tors. eta vs tors. theta energy: -196.775 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: 3 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2641.934301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.934301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.934301 (E_RNA) where: Base-Base interactions energy: -1897.196 where: short stacking energy: -813.462 Base-Backbone interact. energy: 2.666 local terms energy: -747.404184 where: bonds (distance) C4'-P energy: -121.640 bonds (distance) P-C4' energy: -138.798 flat angles C4'-P-C4' energy: -173.305 flat angles P-C4'-P energy: -102.552 tors. eta vs tors. theta energy: -211.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2396.893071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.893071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.893071 (E_RNA) where: Base-Base interactions energy: -1674.701 where: short stacking energy: -727.192 Base-Backbone interact. energy: -0.109 local terms energy: -722.082993 where: bonds (distance) C4'-P energy: -142.559 bonds (distance) P-C4' energy: -135.650 flat angles C4'-P-C4' energy: -155.609 flat angles P-C4'-P energy: -110.464 tors. eta vs tors. theta energy: -177.800 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: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2203.967329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.967329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.967329 (E_RNA) where: Base-Base interactions energy: -1503.173 where: short stacking energy: -677.733 Base-Backbone interact. energy: 2.697 local terms energy: -703.490940 where: bonds (distance) C4'-P energy: -133.172 bonds (distance) P-C4' energy: -140.038 flat angles C4'-P-C4' energy: -155.496 flat angles P-C4'-P energy: -100.079 tors. eta vs tors. theta energy: -174.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -2124.357108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.357108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.357108 (E_RNA) where: Base-Base interactions energy: -1485.137 where: short stacking energy: -644.257 Base-Backbone interact. energy: 2.794 local terms energy: -642.014148 where: bonds (distance) C4'-P energy: -113.067 bonds (distance) P-C4' energy: -129.451 flat angles C4'-P-C4' energy: -151.654 flat angles P-C4'-P energy: -93.042 tors. eta vs tors. theta energy: -154.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1925.571740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.571740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.571740 (E_RNA) where: Base-Base interactions energy: -1311.789 where: short stacking energy: -589.256 Base-Backbone interact. energy: 0.864 local terms energy: -614.647100 where: bonds (distance) C4'-P energy: -122.526 bonds (distance) P-C4' energy: -131.821 flat angles C4'-P-C4' energy: -148.596 flat angles P-C4'-P energy: -78.637 tors. eta vs tors. theta energy: -133.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1668.458435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.458435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.458435 (E_RNA) where: Base-Base interactions energy: -1127.481 where: short stacking energy: -489.766 Base-Backbone interact. energy: 2.830 local terms energy: -543.807677 where: bonds (distance) C4'-P energy: -125.542 bonds (distance) P-C4' energy: -137.588 flat angles C4'-P-C4' energy: -136.672 flat angles P-C4'-P energy: -66.295 tors. eta vs tors. theta energy: -77.712 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: 6 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1528.879507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.879507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.879507 (E_RNA) where: Base-Base interactions energy: -984.685 where: short stacking energy: -473.425 Base-Backbone interact. energy: -0.800 local terms energy: -543.394616 where: bonds (distance) C4'-P energy: -121.088 bonds (distance) P-C4' energy: -137.893 flat angles C4'-P-C4' energy: -125.517 flat angles P-C4'-P energy: -74.762 tors. eta vs tors. theta energy: -84.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3002.472548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.472548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.472548 (E_RNA) where: Base-Base interactions energy: -2112.154 where: short stacking energy: -894.371 Base-Backbone interact. energy: -2.645 local terms energy: -887.673771 where: bonds (distance) C4'-P energy: -155.725 bonds (distance) P-C4' energy: -175.130 flat angles C4'-P-C4' energy: -182.758 flat angles P-C4'-P energy: -128.344 tors. eta vs tors. theta energy: -245.717 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: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2843.319409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.319409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.319409 (E_RNA) where: Base-Base interactions energy: -2015.524 where: short stacking energy: -830.327 Base-Backbone interact. energy: -1.329 local terms energy: -826.466046 where: bonds (distance) C4'-P energy: -147.207 bonds (distance) P-C4' energy: -161.215 flat angles C4'-P-C4' energy: -185.256 flat angles P-C4'-P energy: -116.185 tors. eta vs tors. theta energy: -216.602 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: 10 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2717.097712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.097712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.097712 (E_RNA) where: Base-Base interactions energy: -1943.406 where: short stacking energy: -816.433 Base-Backbone interact. energy: -3.676 local terms energy: -770.014955 where: bonds (distance) C4'-P energy: -132.585 bonds (distance) P-C4' energy: -148.525 flat angles C4'-P-C4' energy: -186.028 flat angles P-C4'-P energy: -100.914 tors. eta vs tors. theta energy: -201.963 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: 172 Temperature: 1.050000 Total energy: -2602.956931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.956931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.956931 (E_RNA) where: Base-Base interactions energy: -1798.675 where: short stacking energy: -805.569 Base-Backbone interact. energy: -3.835 local terms energy: -800.446595 where: bonds (distance) C4'-P energy: -155.907 bonds (distance) P-C4' energy: -147.061 flat angles C4'-P-C4' energy: -173.259 flat angles P-C4'-P energy: -117.556 tors. eta vs tors. theta energy: -206.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2399.599353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.599353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.599353 (E_RNA) where: Base-Base interactions energy: -1669.939 where: short stacking energy: -737.159 Base-Backbone interact. energy: -1.734 local terms energy: -727.926005 where: bonds (distance) C4'-P energy: -139.436 bonds (distance) P-C4' energy: -146.528 flat angles C4'-P-C4' energy: -164.559 flat angles P-C4'-P energy: -97.109 tors. eta vs tors. theta energy: -180.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2242.977452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.977452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.977452 (E_RNA) where: Base-Base interactions energy: -1546.536 where: short stacking energy: -678.194 Base-Backbone interact. energy: -1.104 local terms energy: -695.337575 where: bonds (distance) C4'-P energy: -136.461 bonds (distance) P-C4' energy: -143.416 flat angles C4'-P-C4' energy: -158.042 flat angles P-C4'-P energy: -91.369 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: 7, replica: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -2135.923766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.923766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.923766 (E_RNA) where: Base-Base interactions energy: -1450.723 where: short stacking energy: -652.490 Base-Backbone interact. energy: -0.056 local terms energy: -685.144944 where: bonds (distance) C4'-P energy: -141.126 bonds (distance) P-C4' energy: -115.466 flat angles C4'-P-C4' energy: -151.852 flat angles P-C4'-P energy: -110.865 tors. eta vs tors. theta energy: -165.835 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: 8, replica: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1948.595246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.595246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.595246 (E_RNA) where: Base-Base interactions energy: -1312.713 where: short stacking energy: -547.975 Base-Backbone interact. energy: -0.738 local terms energy: -635.144255 where: bonds (distance) C4'-P energy: -120.185 bonds (distance) P-C4' energy: -143.699 flat angles C4'-P-C4' energy: -157.169 flat angles P-C4'-P energy: -81.396 tors. eta vs tors. theta energy: -132.695 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: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1683.217774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.217774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.217774 (E_RNA) where: Base-Base interactions energy: -1129.942 where: short stacking energy: -494.946 Base-Backbone interact. energy: -0.593 local terms energy: -552.682946 where: bonds (distance) C4'-P energy: -129.395 bonds (distance) P-C4' energy: -128.996 flat angles C4'-P-C4' energy: -133.041 flat angles P-C4'-P energy: -75.481 tors. eta vs tors. theta energy: -85.770 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: 6 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1545.277199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.277199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.277199 (E_RNA) where: Base-Base interactions energy: -1026.099 where: short stacking energy: -419.021 Base-Backbone interact. energy: 1.787 local terms energy: -520.965309 where: bonds (distance) C4'-P energy: -129.146 bonds (distance) P-C4' energy: -115.157 flat angles C4'-P-C4' energy: -120.351 flat angles P-C4'-P energy: -89.647 tors. eta vs tors. theta energy: -66.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2998.396763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.396763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.396763 (E_RNA) where: Base-Base interactions energy: -2141.409 where: short stacking energy: -896.389 Base-Backbone interact. energy: -2.140 local terms energy: -854.847850 where: bonds (distance) C4'-P energy: -152.790 bonds (distance) P-C4' energy: -158.622 flat angles C4'-P-C4' energy: -183.668 flat angles P-C4'-P energy: -119.809 tors. eta vs tors. theta energy: -239.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2870.185283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.185283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.185283 (E_RNA) where: Base-Base interactions energy: -2074.657 where: short stacking energy: -860.855 Base-Backbone interact. energy: -3.727 local terms energy: -791.801017 where: bonds (distance) C4'-P energy: -146.185 bonds (distance) P-C4' energy: -165.516 flat angles C4'-P-C4' energy: -167.353 flat angles P-C4'-P energy: -98.452 tors. eta vs tors. theta energy: -214.296 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: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2704.362512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.362512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.362512 (E_RNA) where: Base-Base interactions energy: -1926.283 where: short stacking energy: -819.867 Base-Backbone interact. energy: -0.393 local terms energy: -777.687316 where: bonds (distance) C4'-P energy: -151.779 bonds (distance) P-C4' energy: -150.520 flat angles C4'-P-C4' energy: -174.410 flat angles P-C4'-P energy: -110.892 tors. eta vs tors. theta energy: -190.085 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: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2605.642205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.642205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.642205 (E_RNA) where: Base-Base interactions energy: -1816.356 where: short stacking energy: -820.689 Base-Backbone interact. energy: -1.914 local terms energy: -787.372761 where: bonds (distance) C4'-P energy: -135.524 bonds (distance) P-C4' energy: -147.904 flat angles C4'-P-C4' energy: -183.683 flat angles P-C4'-P energy: -100.983 tors. eta vs tors. theta energy: -219.279 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: 9 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2342.598114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.598114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.598114 (E_RNA) where: Base-Base interactions energy: -1640.646 where: short stacking energy: -696.722 Base-Backbone interact. energy: -3.427 local terms energy: -698.525379 where: bonds (distance) C4'-P energy: -135.594 bonds (distance) P-C4' energy: -139.427 flat angles C4'-P-C4' energy: -163.186 flat angles P-C4'-P energy: -105.165 tors. eta vs tors. theta energy: -155.154 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: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2211.650250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.650250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.650250 (E_RNA) where: Base-Base interactions energy: -1517.606 where: short stacking energy: -658.889 Base-Backbone interact. energy: -4.791 local terms energy: -689.252976 where: bonds (distance) C4'-P energy: -145.318 bonds (distance) P-C4' energy: -131.211 flat angles C4'-P-C4' energy: -154.647 flat angles P-C4'-P energy: -101.208 tors. eta vs tors. theta energy: -156.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -2205.034011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.034011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.034011 (E_RNA) where: Base-Base interactions energy: -1506.990 where: short stacking energy: -677.785 Base-Backbone interact. energy: -4.108 local terms energy: -693.936391 where: bonds (distance) C4'-P energy: -130.750 bonds (distance) P-C4' energy: -137.231 flat angles C4'-P-C4' energy: -157.251 flat angles P-C4'-P energy: -85.641 tors. eta vs tors. theta energy: -183.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1928.969287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.969287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.969287 (E_RNA) where: Base-Base interactions energy: -1304.063 where: short stacking energy: -578.145 Base-Backbone interact. energy: 0.036 local terms energy: -624.942545 where: bonds (distance) C4'-P energy: -99.723 bonds (distance) P-C4' energy: -147.197 flat angles C4'-P-C4' energy: -146.003 flat angles P-C4'-P energy: -90.747 tors. eta vs tors. theta energy: -141.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1625.927095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.927095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.927095 (E_RNA) where: Base-Base interactions energy: -1091.372 where: short stacking energy: -466.297 Base-Backbone interact. energy: -2.611 local terms energy: -531.944141 where: bonds (distance) C4'-P energy: -127.470 bonds (distance) P-C4' energy: -117.140 flat angles C4'-P-C4' energy: -122.529 flat angles P-C4'-P energy: -81.349 tors. eta vs tors. theta energy: -83.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1448.855824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.855824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.855824 (E_RNA) where: Base-Base interactions energy: -952.589 where: short stacking energy: -425.038 Base-Backbone interact. energy: 0.319 local terms energy: -496.586225 where: bonds (distance) C4'-P energy: -112.385 bonds (distance) P-C4' energy: -138.999 flat angles C4'-P-C4' energy: -113.800 flat angles P-C4'-P energy: -70.430 tors. eta vs tors. theta energy: -60.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3023.452832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.452832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.452832 (E_RNA) where: Base-Base interactions energy: -2160.146 where: short stacking energy: -904.647 Base-Backbone interact. energy: -0.204 local terms energy: -863.102209 where: bonds (distance) C4'-P energy: -146.892 bonds (distance) P-C4' energy: -163.478 flat angles C4'-P-C4' energy: -186.010 flat angles P-C4'-P energy: -116.174 tors. eta vs tors. theta energy: -250.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2876.609176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.609176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.609176 (E_RNA) where: Base-Base interactions energy: -2058.578 where: short stacking energy: -842.309 Base-Backbone interact. energy: -3.750 local terms energy: -814.280725 where: bonds (distance) C4'-P energy: -140.317 bonds (distance) P-C4' energy: -163.245 flat angles C4'-P-C4' energy: -173.083 flat angles P-C4'-P energy: -123.178 tors. eta vs tors. theta energy: -214.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2691.615632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.615632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.615632 (E_RNA) where: Base-Base interactions energy: -1910.350 where: short stacking energy: -853.458 Base-Backbone interact. energy: -3.843 local terms energy: -777.422630 where: bonds (distance) C4'-P energy: -143.761 bonds (distance) P-C4' energy: -138.420 flat angles C4'-P-C4' energy: -181.324 flat angles P-C4'-P energy: -114.515 tors. eta vs tors. theta energy: -199.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2661.057987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.057987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.057987 (E_RNA) where: Base-Base interactions energy: -1877.914 where: short stacking energy: -798.594 Base-Backbone interact. energy: -3.326 local terms energy: -779.817665 where: bonds (distance) C4'-P energy: -132.895 bonds (distance) P-C4' energy: -159.262 flat angles C4'-P-C4' energy: -169.685 flat angles P-C4'-P energy: -113.312 tors. eta vs tors. theta energy: -204.664 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: 5, replica: 9 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2399.529984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.529984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.529984 (E_RNA) where: Base-Base interactions energy: -1660.030 where: short stacking energy: -745.638 Base-Backbone interact. energy: 3.475 local terms energy: -742.975054 where: bonds (distance) C4'-P energy: -133.325 bonds (distance) P-C4' energy: -161.329 flat angles C4'-P-C4' energy: -164.693 flat angles P-C4'-P energy: -103.061 tors. eta vs tors. theta energy: -180.567 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: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2259.584870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.584870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.584870 (E_RNA) where: Base-Base interactions energy: -1540.799 where: short stacking energy: -687.820 Base-Backbone interact. energy: -1.255 local terms energy: -717.531132 where: bonds (distance) C4'-P energy: -142.488 bonds (distance) P-C4' energy: -140.126 flat angles C4'-P-C4' energy: -159.834 flat angles P-C4'-P energy: -93.968 tors. eta vs tors. theta energy: -181.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -2148.222890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.222890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.222890 (E_RNA) where: Base-Base interactions energy: -1464.169 where: short stacking energy: -667.774 Base-Backbone interact. energy: -2.551 local terms energy: -681.503292 where: bonds (distance) C4'-P energy: -127.717 bonds (distance) P-C4' energy: -146.964 flat angles C4'-P-C4' energy: -147.092 flat angles P-C4'-P energy: -90.759 tors. eta vs tors. theta energy: -168.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1998.107453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.107453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.107453 (E_RNA) where: Base-Base interactions energy: -1375.841 where: short stacking energy: -584.846 Base-Backbone interact. energy: 0.335 local terms energy: -622.601522 where: bonds (distance) C4'-P energy: -105.209 bonds (distance) P-C4' energy: -138.235 flat angles C4'-P-C4' energy: -146.020 flat angles P-C4'-P energy: -100.120 tors. eta vs tors. theta energy: -133.018 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: 5 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1654.005192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.005192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.005192 (E_RNA) where: Base-Base interactions energy: -1104.220 where: short stacking energy: -499.183 Base-Backbone interact. energy: 8.679 local terms energy: -558.464469 where: bonds (distance) C4'-P energy: -115.946 bonds (distance) P-C4' energy: -140.795 flat angles C4'-P-C4' energy: -127.950 flat angles P-C4'-P energy: -92.001 tors. eta vs tors. theta energy: -81.773 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: 6 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1430.465126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.465126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.465126 (E_RNA) where: Base-Base interactions energy: -937.846 where: short stacking energy: -425.167 Base-Backbone interact. energy: 0.952 local terms energy: -493.571182 where: bonds (distance) C4'-P energy: -117.605 bonds (distance) P-C4' energy: -105.330 flat angles C4'-P-C4' energy: -126.772 flat angles P-C4'-P energy: -75.386 tors. eta vs tors. theta energy: -68.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -3005.807059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.807059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.807059 (E_RNA) where: Base-Base interactions energy: -2155.164 where: short stacking energy: -890.582 Base-Backbone interact. energy: -7.666 local terms energy: -842.976207 where: bonds (distance) C4'-P energy: -163.245 bonds (distance) P-C4' energy: -147.773 flat angles C4'-P-C4' energy: -178.059 flat angles P-C4'-P energy: -126.036 tors. eta vs tors. theta energy: -227.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2858.545794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.545794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.545794 (E_RNA) where: Base-Base interactions energy: -2014.921 where: short stacking energy: -856.152 Base-Backbone interact. energy: 1.373 local terms energy: -844.997400 where: bonds (distance) C4'-P energy: -156.300 bonds (distance) P-C4' energy: -162.614 flat angles C4'-P-C4' energy: -177.520 flat angles P-C4'-P energy: -127.097 tors. eta vs tors. theta energy: -221.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2686.528547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.528547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.528547 (E_RNA) where: Base-Base interactions energy: -1892.912 where: short stacking energy: -802.246 Base-Backbone interact. energy: 0.851 local terms energy: -794.467704 where: bonds (distance) C4'-P energy: -159.243 bonds (distance) P-C4' energy: -148.092 flat angles C4'-P-C4' energy: -182.727 flat angles P-C4'-P energy: -108.914 tors. eta vs tors. theta energy: -195.492 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: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2618.851160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.851160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.851160 (E_RNA) where: Base-Base interactions energy: -1833.329 where: short stacking energy: -792.160 Base-Backbone interact. energy: -3.925 local terms energy: -781.596692 where: bonds (distance) C4'-P energy: -139.732 bonds (distance) P-C4' energy: -156.282 flat angles C4'-P-C4' energy: -168.213 flat angles P-C4'-P energy: -108.899 tors. eta vs tors. theta energy: -208.471 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: 9 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2406.387485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.387485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.387485 (E_RNA) where: Base-Base interactions energy: -1657.263 where: short stacking energy: -762.080 Base-Backbone interact. energy: -3.348 local terms energy: -745.776313 where: bonds (distance) C4'-P energy: -136.701 bonds (distance) P-C4' energy: -140.904 flat angles C4'-P-C4' energy: -173.643 flat angles P-C4'-P energy: -115.174 tors. eta vs tors. theta energy: -179.355 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: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2244.876985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.876985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.876985 (E_RNA) where: Base-Base interactions energy: -1551.460 where: short stacking energy: -692.746 Base-Backbone interact. energy: -3.030 local terms energy: -690.386141 where: bonds (distance) C4'-P energy: -131.108 bonds (distance) P-C4' energy: -149.829 flat angles C4'-P-C4' energy: -138.529 flat angles P-C4'-P energy: -104.009 tors. eta vs tors. theta energy: -166.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2136.653353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.653353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.653353 (E_RNA) where: Base-Base interactions energy: -1468.443 where: short stacking energy: -659.605 Base-Backbone interact. energy: -4.393 local terms energy: -663.816574 where: bonds (distance) C4'-P energy: -117.140 bonds (distance) P-C4' energy: -145.913 flat angles C4'-P-C4' energy: -159.830 flat angles P-C4'-P energy: -98.239 tors. eta vs tors. theta energy: -142.695 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: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -2010.434551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.434551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.434551 (E_RNA) where: Base-Base interactions energy: -1401.828 where: short stacking energy: -590.721 Base-Backbone interact. energy: -2.283 local terms energy: -606.322836 where: bonds (distance) C4'-P energy: -126.916 bonds (distance) P-C4' energy: -136.623 flat angles C4'-P-C4' energy: -123.700 flat angles P-C4'-P energy: -79.247 tors. eta vs tors. theta energy: -139.836 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: 9, replica: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1637.502645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.502645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.502645 (E_RNA) where: Base-Base interactions energy: -1114.438 where: short stacking energy: -467.603 Base-Backbone interact. energy: 1.578 local terms energy: -524.642798 where: bonds (distance) C4'-P energy: -110.700 bonds (distance) P-C4' energy: -131.233 flat angles C4'-P-C4' energy: -134.248 flat angles P-C4'-P energy: -73.113 tors. eta vs tors. theta energy: -75.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1390.174617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.174617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.174617 (E_RNA) where: Base-Base interactions energy: -914.921 where: short stacking energy: -394.957 Base-Backbone interact. energy: 7.691 local terms energy: -482.944176 where: bonds (distance) C4'-P energy: -109.389 bonds (distance) P-C4' energy: -115.314 flat angles C4'-P-C4' energy: -126.134 flat angles P-C4'-P energy: -80.987 tors. eta vs tors. theta energy: -51.120 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: 7 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -3000.036816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.036816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.036816 (E_RNA) where: Base-Base interactions energy: -2125.733 where: short stacking energy: -895.619 Base-Backbone interact. energy: -0.368 local terms energy: -873.935987 where: bonds (distance) C4'-P energy: -155.210 bonds (distance) P-C4' energy: -175.125 flat angles C4'-P-C4' energy: -184.159 flat angles P-C4'-P energy: -126.456 tors. eta vs tors. theta energy: -232.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2832.695756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.695756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.695756 (E_RNA) where: Base-Base interactions energy: -2022.346 where: short stacking energy: -828.136 Base-Backbone interact. energy: -2.103 local terms energy: -808.246459 where: bonds (distance) C4'-P energy: -141.560 bonds (distance) P-C4' energy: -162.007 flat angles C4'-P-C4' energy: -172.162 flat angles P-C4'-P energy: -116.075 tors. eta vs tors. theta energy: -216.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2764.108331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.108331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.108331 (E_RNA) where: Base-Base interactions energy: -1933.908 where: short stacking energy: -834.153 Base-Backbone interact. energy: 0.937 local terms energy: -831.137779 where: bonds (distance) C4'-P energy: -141.877 bonds (distance) P-C4' energy: -164.083 flat angles C4'-P-C4' energy: -178.983 flat angles P-C4'-P energy: -118.659 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: 4, replica: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2654.777013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.777013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.777013 (E_RNA) where: Base-Base interactions energy: -1883.009 where: short stacking energy: -781.016 Base-Backbone interact. energy: -0.819 local terms energy: -770.949727 where: bonds (distance) C4'-P energy: -156.769 bonds (distance) P-C4' energy: -147.503 flat angles C4'-P-C4' energy: -170.135 flat angles P-C4'-P energy: -117.198 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: 5, replica: 9 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2385.191909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.191909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.191909 (E_RNA) where: Base-Base interactions energy: -1656.179 where: short stacking energy: -694.226 Base-Backbone interact. energy: -2.244 local terms energy: -726.768841 where: bonds (distance) C4'-P energy: -143.424 bonds (distance) P-C4' energy: -134.894 flat angles C4'-P-C4' energy: -164.121 flat angles P-C4'-P energy: -114.030 tors. eta vs tors. theta energy: -170.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2275.020543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.020543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.020543 (E_RNA) where: Base-Base interactions energy: -1595.470 where: short stacking energy: -700.592 Base-Backbone interact. energy: 3.693 local terms energy: -683.242716 where: bonds (distance) C4'-P energy: -120.771 bonds (distance) P-C4' energy: -133.588 flat angles C4'-P-C4' energy: -147.589 flat angles P-C4'-P energy: -100.110 tors. eta vs tors. theta energy: -181.184 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: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2094.893762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.893762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.893762 (E_RNA) where: Base-Base interactions energy: -1454.434 where: short stacking energy: -633.376 Base-Backbone interact. energy: -1.495 local terms energy: -638.964005 where: bonds (distance) C4'-P energy: -122.928 bonds (distance) P-C4' energy: -147.859 flat angles C4'-P-C4' energy: -144.466 flat angles P-C4'-P energy: -85.146 tors. eta vs tors. theta energy: -138.565 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: 1 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -2016.720370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.720370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.720370 (E_RNA) where: Base-Base interactions energy: -1376.656 where: short stacking energy: -588.734 Base-Backbone interact. energy: -1.723 local terms energy: -638.341804 where: bonds (distance) C4'-P energy: -120.034 bonds (distance) P-C4' energy: -127.940 flat angles C4'-P-C4' energy: -155.412 flat angles P-C4'-P energy: -100.420 tors. eta vs tors. theta energy: -134.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1633.738559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.738559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.738559 (E_RNA) where: Base-Base interactions energy: -1071.461 where: short stacking energy: -514.674 Base-Backbone interact. energy: 0.302 local terms energy: -562.579823 where: bonds (distance) C4'-P energy: -122.342 bonds (distance) P-C4' energy: -117.897 flat angles C4'-P-C4' energy: -126.458 flat angles P-C4'-P energy: -79.998 tors. eta vs tors. theta energy: -115.884 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: 6 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1375.606678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.606678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.606678 (E_RNA) where: Base-Base interactions energy: -889.162 where: short stacking energy: -386.480 Base-Backbone interact. energy: 2.762 local terms energy: -489.207046 where: bonds (distance) C4'-P energy: -111.825 bonds (distance) P-C4' energy: -132.306 flat angles C4'-P-C4' energy: -122.852 flat angles P-C4'-P energy: -80.042 tors. eta vs tors. theta energy: -42.182 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: 7 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2998.330098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.330098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.330098 (E_RNA) where: Base-Base interactions energy: -2128.296 where: short stacking energy: -897.385 Base-Backbone interact. energy: -5.383 local terms energy: -864.651400 where: bonds (distance) C4'-P energy: -164.065 bonds (distance) P-C4' energy: -160.633 flat angles C4'-P-C4' energy: -188.266 flat angles P-C4'-P energy: -115.025 tors. eta vs tors. theta energy: -236.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2787.358589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.358589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.358589 (E_RNA) where: Base-Base interactions energy: -1977.649 where: short stacking energy: -822.227 Base-Backbone interact. energy: -5.121 local terms energy: -804.588313 where: bonds (distance) C4'-P energy: -162.813 bonds (distance) P-C4' energy: -144.151 flat angles C4'-P-C4' energy: -176.692 flat angles P-C4'-P energy: -115.996 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: 3, replica: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2757.915783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.915783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.915783 (E_RNA) where: Base-Base interactions energy: -1956.407 where: short stacking energy: -860.858 Base-Backbone interact. energy: -3.390 local terms energy: -798.118712 where: bonds (distance) C4'-P energy: -147.019 bonds (distance) P-C4' energy: -141.977 flat angles C4'-P-C4' energy: -174.029 flat angles P-C4'-P energy: -108.835 tors. eta vs tors. theta energy: -226.258 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: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2646.037599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.037599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.037599 (E_RNA) where: Base-Base interactions energy: -1888.796 where: short stacking energy: -777.045 Base-Backbone interact. energy: -6.279 local terms energy: -750.962832 where: bonds (distance) C4'-P energy: -148.921 bonds (distance) P-C4' energy: -144.681 flat angles C4'-P-C4' energy: -174.058 flat angles P-C4'-P energy: -109.375 tors. eta vs tors. theta energy: -173.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2451.790183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.790183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.790183 (E_RNA) where: Base-Base interactions energy: -1704.804 where: short stacking energy: -792.685 Base-Backbone interact. energy: -0.277 local terms energy: -746.708916 where: bonds (distance) C4'-P energy: -150.405 bonds (distance) P-C4' energy: -149.388 flat angles C4'-P-C4' energy: -150.236 flat angles P-C4'-P energy: -104.456 tors. eta vs tors. theta energy: -192.225 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: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2308.368823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.368823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.368823 (E_RNA) where: Base-Base interactions energy: -1589.215 where: short stacking energy: -699.106 Base-Backbone interact. energy: -1.953 local terms energy: -717.200151 where: bonds (distance) C4'-P energy: -144.744 bonds (distance) P-C4' energy: -141.436 flat angles C4'-P-C4' energy: -154.875 flat angles P-C4'-P energy: -109.521 tors. eta vs tors. theta energy: -166.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -2113.429673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.429673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.429673 (E_RNA) where: Base-Base interactions energy: -1451.123 where: short stacking energy: -617.831 Base-Backbone interact. energy: 2.247 local terms energy: -664.553931 where: bonds (distance) C4'-P energy: -126.762 bonds (distance) P-C4' energy: -131.242 flat angles C4'-P-C4' energy: -147.984 flat angles P-C4'-P energy: -105.540 tors. eta vs tors. theta energy: -153.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -2064.511346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.511346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.511346 (E_RNA) where: Base-Base interactions energy: -1437.966 where: short stacking energy: -627.974 Base-Backbone interact. energy: -0.224 local terms energy: -626.321153 where: bonds (distance) C4'-P energy: -121.596 bonds (distance) P-C4' energy: -127.219 flat angles C4'-P-C4' energy: -145.182 flat angles P-C4'-P energy: -85.271 tors. eta vs tors. theta energy: -147.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1631.021094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.021094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.021094 (E_RNA) where: Base-Base interactions energy: -1078.517 where: short stacking energy: -500.868 Base-Backbone interact. energy: -1.996 local terms energy: -550.508049 where: bonds (distance) C4'-P energy: -124.641 bonds (distance) P-C4' energy: -132.770 flat angles C4'-P-C4' energy: -126.655 flat angles P-C4'-P energy: -81.786 tors. eta vs tors. theta energy: -84.657 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: 6 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1376.827123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.827123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.827123 (E_RNA) where: Base-Base interactions energy: -879.835 where: short stacking energy: -408.309 Base-Backbone interact. energy: -0.502 local terms energy: -496.490120 where: bonds (distance) C4'-P energy: -109.984 bonds (distance) P-C4' energy: -124.233 flat angles C4'-P-C4' energy: -122.159 flat angles P-C4'-P energy: -75.684 tors. eta vs tors. theta energy: -64.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3005.600843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.600843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.600843 (E_RNA) where: Base-Base interactions energy: -2161.536 where: short stacking energy: -897.609 Base-Backbone interact. energy: -2.580 local terms energy: -841.485094 where: bonds (distance) C4'-P energy: -145.772 bonds (distance) P-C4' energy: -163.368 flat angles C4'-P-C4' energy: -175.444 flat angles P-C4'-P energy: -125.319 tors. eta vs tors. theta energy: -231.582 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: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2812.785334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.785334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.785334 (E_RNA) where: Base-Base interactions energy: -2006.086 where: short stacking energy: -827.399 Base-Backbone interact. energy: -4.481 local terms energy: -802.218694 where: bonds (distance) C4'-P energy: -153.233 bonds (distance) P-C4' energy: -153.824 flat angles C4'-P-C4' energy: -178.542 flat angles P-C4'-P energy: -103.506 tors. eta vs tors. theta energy: -213.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2757.132381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.132381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.132381 (E_RNA) where: Base-Base interactions energy: -1950.333 where: short stacking energy: -827.454 Base-Backbone interact. energy: -2.625 local terms energy: -804.175004 where: bonds (distance) C4'-P energy: -142.449 bonds (distance) P-C4' energy: -144.121 flat angles C4'-P-C4' energy: -171.271 flat angles P-C4'-P energy: -114.982 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: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2651.333674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.333674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.333674 (E_RNA) where: Base-Base interactions energy: -1849.355 where: short stacking energy: -777.562 Base-Backbone interact. energy: -5.722 local terms energy: -796.256278 where: bonds (distance) C4'-P energy: -154.394 bonds (distance) P-C4' energy: -156.899 flat angles C4'-P-C4' energy: -174.665 flat angles P-C4'-P energy: -110.540 tors. eta vs tors. theta energy: -199.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2426.789003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.789003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.789003 (E_RNA) where: Base-Base interactions energy: -1676.900 where: short stacking energy: -752.464 Base-Backbone interact. energy: -3.188 local terms energy: -746.700785 where: bonds (distance) C4'-P energy: -160.646 bonds (distance) P-C4' energy: -142.713 flat angles C4'-P-C4' energy: -153.519 flat angles P-C4'-P energy: -106.265 tors. eta vs tors. theta energy: -183.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2252.153477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.153477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.153477 (E_RNA) where: Base-Base interactions energy: -1533.910 where: short stacking energy: -656.172 Base-Backbone interact. energy: -2.447 local terms energy: -715.796871 where: bonds (distance) C4'-P energy: -136.881 bonds (distance) P-C4' energy: -147.209 flat angles C4'-P-C4' energy: -166.624 flat angles P-C4'-P energy: -94.234 tors. eta vs tors. theta energy: -170.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -2162.571680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.571680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.571680 (E_RNA) where: Base-Base interactions energy: -1516.115 where: short stacking energy: -665.268 Base-Backbone interact. energy: -2.593 local terms energy: -643.863642 where: bonds (distance) C4'-P energy: -133.185 bonds (distance) P-C4' energy: -126.652 flat angles C4'-P-C4' energy: -133.549 flat angles P-C4'-P energy: -91.856 tors. eta vs tors. theta energy: -158.621 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: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -2053.640026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.640026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.640026 (E_RNA) where: Base-Base interactions energy: -1422.063 where: short stacking energy: -610.295 Base-Backbone interact. energy: 6.210 local terms energy: -637.786616 where: bonds (distance) C4'-P energy: -130.431 bonds (distance) P-C4' energy: -129.193 flat angles C4'-P-C4' energy: -139.379 flat angles P-C4'-P energy: -94.111 tors. eta vs tors. theta energy: -144.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1619.126300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.126300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.126300 (E_RNA) where: Base-Base interactions energy: -1073.741 where: short stacking energy: -474.615 Base-Backbone interact. energy: 2.155 local terms energy: -547.540691 where: bonds (distance) C4'-P energy: -114.332 bonds (distance) P-C4' energy: -125.047 flat angles C4'-P-C4' energy: -135.974 flat angles P-C4'-P energy: -88.971 tors. eta vs tors. theta energy: -83.217 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: 6 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1355.091991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.091991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.091991 (E_RNA) where: Base-Base interactions energy: -826.947 where: short stacking energy: -398.686 Base-Backbone interact. energy: -2.489 local terms energy: -525.656291 where: bonds (distance) C4'-P energy: -134.269 bonds (distance) P-C4' energy: -135.341 flat angles C4'-P-C4' energy: -119.932 flat angles P-C4'-P energy: -85.288 tors. eta vs tors. theta energy: -50.826 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: 7 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3014.513057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.513057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.513057 (E_RNA) where: Base-Base interactions energy: -2147.247 where: short stacking energy: -875.897 Base-Backbone interact. energy: -3.217 local terms energy: -864.049301 where: bonds (distance) C4'-P energy: -143.763 bonds (distance) P-C4' energy: -163.224 flat angles C4'-P-C4' energy: -182.369 flat angles P-C4'-P energy: -134.143 tors. eta vs tors. theta energy: -240.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2827.823626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.823626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.823626 (E_RNA) where: Base-Base interactions energy: -1996.838 where: short stacking energy: -868.850 Base-Backbone interact. energy: -3.175 local terms energy: -827.810287 where: bonds (distance) C4'-P energy: -141.254 bonds (distance) P-C4' energy: -162.238 flat angles C4'-P-C4' energy: -175.601 flat angles P-C4'-P energy: -120.820 tors. eta vs tors. theta energy: -227.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2744.982777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.982777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.982777 (E_RNA) where: Base-Base interactions energy: -1965.737 where: short stacking energy: -790.026 Base-Backbone interact. energy: 1.273 local terms energy: -780.518908 where: bonds (distance) C4'-P energy: -149.295 bonds (distance) P-C4' energy: -155.555 flat angles C4'-P-C4' energy: -159.369 flat angles P-C4'-P energy: -110.638 tors. eta vs tors. theta energy: -205.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2657.294495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.294495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.294495 (E_RNA) where: Base-Base interactions energy: -1851.293 where: short stacking energy: -788.361 Base-Backbone interact. energy: -4.060 local terms energy: -801.941353 where: bonds (distance) C4'-P energy: -167.123 bonds (distance) P-C4' energy: -143.656 flat angles C4'-P-C4' energy: -180.786 flat angles P-C4'-P energy: -103.634 tors. eta vs tors. theta energy: -206.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2420.663477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.663477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.663477 (E_RNA) where: Base-Base interactions energy: -1679.086 where: short stacking energy: -729.179 Base-Backbone interact. energy: -2.736 local terms energy: -738.840715 where: bonds (distance) C4'-P energy: -157.242 bonds (distance) P-C4' energy: -149.165 flat angles C4'-P-C4' energy: -165.241 flat angles P-C4'-P energy: -87.424 tors. eta vs tors. theta energy: -179.768 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: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2276.051971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.051971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.051971 (E_RNA) where: Base-Base interactions energy: -1568.814 where: short stacking energy: -706.065 Base-Backbone interact. energy: -0.935 local terms energy: -706.302454 where: bonds (distance) C4'-P energy: -134.844 bonds (distance) P-C4' energy: -140.601 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -97.027 tors. eta vs tors. theta energy: -183.155 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: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -2172.429938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.429938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.429938 (E_RNA) where: Base-Base interactions energy: -1509.000 where: short stacking energy: -649.044 Base-Backbone interact. energy: 2.210 local terms energy: -665.640433 where: bonds (distance) C4'-P energy: -116.315 bonds (distance) P-C4' energy: -137.394 flat angles C4'-P-C4' energy: -142.299 flat angles P-C4'-P energy: -109.961 tors. eta vs tors. theta energy: -159.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1993.777662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.777662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.777662 (E_RNA) where: Base-Base interactions energy: -1347.594 where: short stacking energy: -607.493 Base-Backbone interact. energy: -2.976 local terms energy: -643.207924 where: bonds (distance) C4'-P energy: -109.869 bonds (distance) P-C4' energy: -155.489 flat angles C4'-P-C4' energy: -153.377 flat angles P-C4'-P energy: -84.346 tors. eta vs tors. theta energy: -140.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1656.716301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.716301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.716301 (E_RNA) where: Base-Base interactions energy: -1125.434 where: short stacking energy: -487.167 Base-Backbone interact. energy: 0.230 local terms energy: -531.512735 where: bonds (distance) C4'-P energy: -129.029 bonds (distance) P-C4' energy: -116.692 flat angles C4'-P-C4' energy: -121.855 flat angles P-C4'-P energy: -74.670 tors. eta vs tors. theta energy: -89.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1353.564108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.564108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.564108 (E_RNA) where: Base-Base interactions energy: -845.476 where: short stacking energy: -406.403 Base-Backbone interact. energy: -4.071 local terms energy: -504.017433 where: bonds (distance) C4'-P energy: -121.640 bonds (distance) P-C4' energy: -122.815 flat angles C4'-P-C4' energy: -120.174 flat angles P-C4'-P energy: -74.889 tors. eta vs tors. theta energy: -64.499 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: 7 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -3019.078166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.078166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.078166 (E_RNA) where: Base-Base interactions energy: -2136.960 where: short stacking energy: -918.574 Base-Backbone interact. energy: -3.743 local terms energy: -878.375479 where: bonds (distance) C4'-P energy: -155.389 bonds (distance) P-C4' energy: -163.671 flat angles C4'-P-C4' energy: -188.440 flat angles P-C4'-P energy: -126.089 tors. eta vs tors. theta energy: -244.787 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: 2, replica: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2825.575182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.575182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.575182 (E_RNA) where: Base-Base interactions energy: -1960.323 where: short stacking energy: -847.994 Base-Backbone interact. energy: -4.674 local terms energy: -860.578094 where: bonds (distance) C4'-P energy: -170.781 bonds (distance) P-C4' energy: -175.160 flat angles C4'-P-C4' energy: -172.789 flat angles P-C4'-P energy: -119.303 tors. eta vs tors. theta energy: -222.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2835.431333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.431333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.431333 (E_RNA) where: Base-Base interactions energy: -2029.510 where: short stacking energy: -853.569 Base-Backbone interact. energy: -2.323 local terms energy: -803.598461 where: bonds (distance) C4'-P energy: -138.511 bonds (distance) P-C4' energy: -148.229 flat angles C4'-P-C4' energy: -177.862 flat angles P-C4'-P energy: -111.303 tors. eta vs tors. theta energy: -227.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2638.963626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.963626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.963626 (E_RNA) where: Base-Base interactions energy: -1875.180 where: short stacking energy: -797.425 Base-Backbone interact. energy: -6.023 local terms energy: -757.761177 where: bonds (distance) C4'-P energy: -135.436 bonds (distance) P-C4' energy: -149.992 flat angles C4'-P-C4' energy: -160.805 flat angles P-C4'-P energy: -118.665 tors. eta vs tors. theta energy: -192.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2413.248606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.248606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.248606 (E_RNA) where: Base-Base interactions energy: -1686.548 where: short stacking energy: -726.129 Base-Backbone interact. energy: 2.263 local terms energy: -728.963749 where: bonds (distance) C4'-P energy: -126.406 bonds (distance) P-C4' energy: -145.639 flat angles C4'-P-C4' energy: -165.265 flat angles P-C4'-P energy: -101.122 tors. eta vs tors. theta energy: -190.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2312.210334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.210334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.210334 (E_RNA) where: Base-Base interactions energy: -1568.637 where: short stacking energy: -705.409 Base-Backbone interact. energy: -3.260 local terms energy: -740.313592 where: bonds (distance) C4'-P energy: -135.426 bonds (distance) P-C4' energy: -132.074 flat angles C4'-P-C4' energy: -171.108 flat angles P-C4'-P energy: -116.346 tors. eta vs tors. theta energy: -185.359 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: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2166.523828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.523828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.523828 (E_RNA) where: Base-Base interactions energy: -1527.474 where: short stacking energy: -666.335 Base-Backbone interact. energy: 2.766 local terms energy: -641.816013 where: bonds (distance) C4'-P energy: -114.177 bonds (distance) P-C4' energy: -128.414 flat angles C4'-P-C4' energy: -145.990 flat angles P-C4'-P energy: -89.876 tors. eta vs tors. theta energy: -163.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -2031.245098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.245098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.245098 (E_RNA) where: Base-Base interactions energy: -1419.854 where: short stacking energy: -624.732 Base-Backbone interact. energy: -1.834 local terms energy: -609.557150 where: bonds (distance) C4'-P energy: -105.019 bonds (distance) P-C4' energy: -125.479 flat angles C4'-P-C4' energy: -151.338 flat angles P-C4'-P energy: -83.347 tors. eta vs tors. theta energy: -144.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1612.251490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.251490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.251490 (E_RNA) where: Base-Base interactions energy: -1074.576 where: short stacking energy: -508.195 Base-Backbone interact. energy: 0.466 local terms energy: -538.141420 where: bonds (distance) C4'-P energy: -132.538 bonds (distance) P-C4' energy: -119.646 flat angles C4'-P-C4' energy: -119.858 flat angles P-C4'-P energy: -65.034 tors. eta vs tors. theta energy: -101.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1356.658214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.658214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.658214 (E_RNA) where: Base-Base interactions energy: -857.036 where: short stacking energy: -375.718 Base-Backbone interact. energy: -4.175 local terms energy: -495.446883 where: bonds (distance) C4'-P energy: -126.545 bonds (distance) P-C4' energy: -128.819 flat angles C4'-P-C4' energy: -94.027 flat angles P-C4'-P energy: -87.273 tors. eta vs tors. theta energy: -58.783 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: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3037.174786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.174786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.174786 (E_RNA) where: Base-Base interactions energy: -2149.011 where: short stacking energy: -908.997 Base-Backbone interact. energy: -4.661 local terms energy: -883.502929 where: bonds (distance) C4'-P energy: -162.384 bonds (distance) P-C4' energy: -159.977 flat angles C4'-P-C4' energy: -190.447 flat angles P-C4'-P energy: -121.204 tors. eta vs tors. theta energy: -249.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2854.743644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.743644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.743644 (E_RNA) where: Base-Base interactions energy: -2051.649 where: short stacking energy: -866.211 Base-Backbone interact. energy: -6.663 local terms energy: -796.431892 where: bonds (distance) C4'-P energy: -159.308 bonds (distance) P-C4' energy: -149.006 flat angles C4'-P-C4' energy: -170.523 flat angles P-C4'-P energy: -109.035 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: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2707.785046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.785046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.785046 (E_RNA) where: Base-Base interactions energy: -1910.908 where: short stacking energy: -818.041 Base-Backbone interact. energy: -2.073 local terms energy: -794.804237 where: bonds (distance) C4'-P energy: -158.600 bonds (distance) P-C4' energy: -137.461 flat angles C4'-P-C4' energy: -169.593 flat angles P-C4'-P energy: -109.292 tors. eta vs tors. theta energy: -219.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2670.124298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.124298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.124298 (E_RNA) where: Base-Base interactions energy: -1891.930 where: short stacking energy: -798.831 Base-Backbone interact. energy: -0.250 local terms energy: -777.944982 where: bonds (distance) C4'-P energy: -152.449 bonds (distance) P-C4' energy: -133.518 flat angles C4'-P-C4' energy: -175.239 flat angles P-C4'-P energy: -120.672 tors. eta vs tors. theta energy: -196.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2439.597468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.597468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.597468 (E_RNA) where: Base-Base interactions energy: -1670.415 where: short stacking energy: -741.009 Base-Backbone interact. energy: -0.074 local terms energy: -769.108919 where: bonds (distance) C4'-P energy: -135.426 bonds (distance) P-C4' energy: -150.909 flat angles C4'-P-C4' energy: -177.491 flat angles P-C4'-P energy: -101.974 tors. eta vs tors. theta energy: -203.309 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: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2255.366132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.366132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.366132 (E_RNA) where: Base-Base interactions energy: -1555.061 where: short stacking energy: -688.147 Base-Backbone interact. energy: -2.912 local terms energy: -697.393352 where: bonds (distance) C4'-P energy: -146.389 bonds (distance) P-C4' energy: -127.656 flat angles C4'-P-C4' energy: -152.979 flat angles P-C4'-P energy: -95.196 tors. eta vs tors. theta energy: -175.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -2170.597582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.597582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.597582 (E_RNA) where: Base-Base interactions energy: -1524.412 where: short stacking energy: -660.432 Base-Backbone interact. energy: -2.992 local terms energy: -643.192865 where: bonds (distance) C4'-P energy: -133.521 bonds (distance) P-C4' energy: -138.022 flat angles C4'-P-C4' energy: -140.072 flat angles P-C4'-P energy: -76.457 tors. eta vs tors. theta energy: -155.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -2054.389456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.389456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.389456 (E_RNA) where: Base-Base interactions energy: -1414.499 where: short stacking energy: -615.717 Base-Backbone interact. energy: -2.850 local terms energy: -637.040282 where: bonds (distance) C4'-P energy: -121.954 bonds (distance) P-C4' energy: -139.268 flat angles C4'-P-C4' energy: -124.934 flat angles P-C4'-P energy: -102.460 tors. eta vs tors. theta energy: -148.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1649.065625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.065625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.065625 (E_RNA) where: Base-Base interactions energy: -1109.671 where: short stacking energy: -503.148 Base-Backbone interact. energy: -1.674 local terms energy: -537.720465 where: bonds (distance) C4'-P energy: -124.057 bonds (distance) P-C4' energy: -110.002 flat angles C4'-P-C4' energy: -139.457 flat angles P-C4'-P energy: -75.888 tors. eta vs tors. theta energy: -88.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1374.625757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.625757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.625757 (E_RNA) where: Base-Base interactions energy: -893.402 where: short stacking energy: -396.499 Base-Backbone interact. energy: 1.097 local terms energy: -482.320820 where: bonds (distance) C4'-P energy: -108.314 bonds (distance) P-C4' energy: -115.547 flat angles C4'-P-C4' energy: -137.058 flat angles P-C4'-P energy: -74.886 tors. eta vs tors. theta energy: -46.515 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: 7 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2997.382512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.382512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.382512 (E_RNA) where: Base-Base interactions energy: -2140.129 where: short stacking energy: -893.663 Base-Backbone interact. energy: -2.331 local terms energy: -854.921787 where: bonds (distance) C4'-P energy: -143.381 bonds (distance) P-C4' energy: -174.774 flat angles C4'-P-C4' energy: -181.940 flat angles P-C4'-P energy: -109.249 tors. eta vs tors. theta energy: -245.579 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: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2838.580396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.580396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.580396 (E_RNA) where: Base-Base interactions energy: -2035.253 where: short stacking energy: -844.800 Base-Backbone interact. energy: -2.498 local terms energy: -800.830024 where: bonds (distance) C4'-P energy: -144.232 bonds (distance) P-C4' energy: -141.999 flat angles C4'-P-C4' energy: -178.081 flat angles P-C4'-P energy: -127.098 tors. eta vs tors. theta energy: -209.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2727.962300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.962300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.962300 (E_RNA) where: Base-Base interactions energy: -1906.706 where: short stacking energy: -833.301 Base-Backbone interact. energy: -3.946 local terms energy: -817.310724 where: bonds (distance) C4'-P energy: -149.353 bonds (distance) P-C4' energy: -138.300 flat angles C4'-P-C4' energy: -193.564 flat angles P-C4'-P energy: -120.365 tors. eta vs tors. theta energy: -215.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2645.293501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.293501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.293501 (E_RNA) where: Base-Base interactions energy: -1873.097 where: short stacking energy: -795.311 Base-Backbone interact. energy: -3.575 local terms energy: -768.621451 where: bonds (distance) C4'-P energy: -142.179 bonds (distance) P-C4' energy: -152.706 flat angles C4'-P-C4' energy: -173.799 flat angles P-C4'-P energy: -117.007 tors. eta vs tors. theta energy: -182.930 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: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2473.526225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.526225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.526225 (E_RNA) where: Base-Base interactions energy: -1724.435 where: short stacking energy: -758.952 Base-Backbone interact. energy: -2.044 local terms energy: -747.047162 where: bonds (distance) C4'-P energy: -136.387 bonds (distance) P-C4' energy: -146.173 flat angles C4'-P-C4' energy: -177.233 flat angles P-C4'-P energy: -108.742 tors. eta vs tors. theta energy: -178.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2262.019767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.019767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.019767 (E_RNA) where: Base-Base interactions energy: -1602.500 where: short stacking energy: -683.033 Base-Backbone interact. energy: -0.021 local terms energy: -659.499018 where: bonds (distance) C4'-P energy: -134.781 bonds (distance) P-C4' energy: -130.352 flat angles C4'-P-C4' energy: -156.448 flat angles P-C4'-P energy: -80.455 tors. eta vs tors. theta energy: -157.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -2083.872198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.872198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.872198 (E_RNA) where: Base-Base interactions energy: -1454.577 where: short stacking energy: -636.854 Base-Backbone interact. energy: -3.027 local terms energy: -626.268192 where: bonds (distance) C4'-P energy: -121.819 bonds (distance) P-C4' energy: -116.556 flat angles C4'-P-C4' energy: -159.914 flat angles P-C4'-P energy: -86.744 tors. eta vs tors. theta energy: -141.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1960.732395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.732395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.732395 (E_RNA) where: Base-Base interactions energy: -1328.596 where: short stacking energy: -610.111 Base-Backbone interact. energy: -2.949 local terms energy: -629.187549 where: bonds (distance) C4'-P energy: -118.599 bonds (distance) P-C4' energy: -157.400 flat angles C4'-P-C4' energy: -130.677 flat angles P-C4'-P energy: -92.578 tors. eta vs tors. theta energy: -129.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1618.194959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.194959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.194959 (E_RNA) where: Base-Base interactions energy: -1071.637 where: short stacking energy: -506.185 Base-Backbone interact. energy: -3.578 local terms energy: -542.979886 where: bonds (distance) C4'-P energy: -110.135 bonds (distance) P-C4' energy: -138.418 flat angles C4'-P-C4' energy: -135.329 flat angles P-C4'-P energy: -66.393 tors. eta vs tors. theta energy: -92.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1354.109308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.109308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.109308 (E_RNA) where: Base-Base interactions energy: -847.069 where: short stacking energy: -401.828 Base-Backbone interact. energy: -1.359 local terms energy: -505.681324 where: bonds (distance) C4'-P energy: -132.486 bonds (distance) P-C4' energy: -137.504 flat angles C4'-P-C4' energy: -112.059 flat angles P-C4'-P energy: -61.108 tors. eta vs tors. theta energy: -62.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2982.341648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.341648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.341648 (E_RNA) where: Base-Base interactions energy: -2096.703 where: short stacking energy: -883.279 Base-Backbone interact. energy: -1.380 local terms energy: -884.257826 where: bonds (distance) C4'-P energy: -153.174 bonds (distance) P-C4' energy: -167.876 flat angles C4'-P-C4' energy: -183.489 flat angles P-C4'-P energy: -133.395 tors. eta vs tors. theta energy: -246.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2878.287828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.287828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.287828 (E_RNA) where: Base-Base interactions energy: -2043.230 where: short stacking energy: -834.769 Base-Backbone interact. energy: -5.491 local terms energy: -829.566303 where: bonds (distance) C4'-P energy: -158.435 bonds (distance) P-C4' energy: -153.331 flat angles C4'-P-C4' energy: -181.679 flat angles P-C4'-P energy: -119.228 tors. eta vs tors. theta energy: -216.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2710.535677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.535677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.535677 (E_RNA) where: Base-Base interactions energy: -1923.180 where: short stacking energy: -789.947 Base-Backbone interact. energy: -1.271 local terms energy: -786.084486 where: bonds (distance) C4'-P energy: -143.176 bonds (distance) P-C4' energy: -144.927 flat angles C4'-P-C4' energy: -155.588 flat angles P-C4'-P energy: -130.170 tors. eta vs tors. theta energy: -212.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2677.793090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.793090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.793090 (E_RNA) where: Base-Base interactions energy: -1930.704 where: short stacking energy: -799.204 Base-Backbone interact. energy: 0.075 local terms energy: -747.163954 where: bonds (distance) C4'-P energy: -141.891 bonds (distance) P-C4' energy: -131.685 flat angles C4'-P-C4' energy: -167.685 flat angles P-C4'-P energy: -112.288 tors. eta vs tors. theta energy: -193.616 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: 9 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2466.535880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.535880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.535880 (E_RNA) where: Base-Base interactions energy: -1700.350 where: short stacking energy: -772.988 Base-Backbone interact. energy: -1.862 local terms energy: -764.324026 where: bonds (distance) C4'-P energy: -126.308 bonds (distance) P-C4' energy: -147.533 flat angles C4'-P-C4' energy: -173.488 flat angles P-C4'-P energy: -102.761 tors. eta vs tors. theta energy: -214.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2270.033094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.033094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.033094 (E_RNA) where: Base-Base interactions energy: -1584.393 where: short stacking energy: -683.314 Base-Backbone interact. energy: -5.107 local terms energy: -680.532584 where: bonds (distance) C4'-P energy: -120.283 bonds (distance) P-C4' energy: -139.678 flat angles C4'-P-C4' energy: -157.772 flat angles P-C4'-P energy: -92.278 tors. eta vs tors. theta energy: -170.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2144.218708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.218708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.218708 (E_RNA) where: Base-Base interactions energy: -1493.306 where: short stacking energy: -647.000 Base-Backbone interact. energy: -3.018 local terms energy: -647.894902 where: bonds (distance) C4'-P energy: -114.785 bonds (distance) P-C4' energy: -139.039 flat angles C4'-P-C4' energy: -150.880 flat angles P-C4'-P energy: -87.702 tors. eta vs tors. theta energy: -155.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1940.474313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.474313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.474313 (E_RNA) where: Base-Base interactions energy: -1325.628 where: short stacking energy: -594.801 Base-Backbone interact. energy: 2.166 local terms energy: -617.012953 where: bonds (distance) C4'-P energy: -116.796 bonds (distance) P-C4' energy: -142.961 flat angles C4'-P-C4' energy: -141.037 flat angles P-C4'-P energy: -85.793 tors. eta vs tors. theta energy: -130.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1631.578232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.578232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.578232 (E_RNA) where: Base-Base interactions energy: -1091.716 where: short stacking energy: -463.532 Base-Backbone interact. energy: -1.393 local terms energy: -538.469298 where: bonds (distance) C4'-P energy: -124.810 bonds (distance) P-C4' energy: -131.034 flat angles C4'-P-C4' energy: -137.497 flat angles P-C4'-P energy: -80.503 tors. eta vs tors. theta energy: -64.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1394.116539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.116539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.116539 (E_RNA) where: Base-Base interactions energy: -908.967 where: short stacking energy: -427.731 Base-Backbone interact. energy: 5.041 local terms energy: -490.190588 where: bonds (distance) C4'-P energy: -115.589 bonds (distance) P-C4' energy: -121.858 flat angles C4'-P-C4' energy: -126.927 flat angles P-C4'-P energy: -63.021 tors. eta vs tors. theta energy: -62.795 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: 7 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2995.834539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.834539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.834539 (E_RNA) where: Base-Base interactions energy: -2144.606 where: short stacking energy: -902.501 Base-Backbone interact. energy: -3.602 local terms energy: -847.626345 where: bonds (distance) C4'-P energy: -156.082 bonds (distance) P-C4' energy: -154.162 flat angles C4'-P-C4' energy: -165.704 flat angles P-C4'-P energy: -135.685 tors. eta vs tors. theta energy: -235.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2871.070057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.070057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.070057 (E_RNA) where: Base-Base interactions energy: -2048.675 where: short stacking energy: -850.518 Base-Backbone interact. energy: -1.722 local terms energy: -820.673275 where: bonds (distance) C4'-P energy: -150.703 bonds (distance) P-C4' energy: -150.811 flat angles C4'-P-C4' energy: -182.439 flat angles P-C4'-P energy: -120.698 tors. eta vs tors. theta energy: -216.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2728.857546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.857546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.857546 (E_RNA) where: Base-Base interactions energy: -1943.194 where: short stacking energy: -820.873 Base-Backbone interact. energy: 3.274 local terms energy: -788.937801 where: bonds (distance) C4'-P energy: -151.491 bonds (distance) P-C4' energy: -156.009 flat angles C4'-P-C4' energy: -170.189 flat angles P-C4'-P energy: -107.774 tors. eta vs tors. theta energy: -203.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2672.116745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.116745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.116745 (E_RNA) where: Base-Base interactions energy: -1877.818 where: short stacking energy: -781.123 Base-Backbone interact. energy: 1.395 local terms energy: -795.694401 where: bonds (distance) C4'-P energy: -142.445 bonds (distance) P-C4' energy: -159.729 flat angles C4'-P-C4' energy: -150.169 flat angles P-C4'-P energy: -127.840 tors. eta vs tors. theta energy: -215.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2457.759269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.759269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.759269 (E_RNA) where: Base-Base interactions energy: -1688.649 where: short stacking energy: -755.195 Base-Backbone interact. energy: -3.638 local terms energy: -765.472335 where: bonds (distance) C4'-P energy: -146.650 bonds (distance) P-C4' energy: -138.220 flat angles C4'-P-C4' energy: -160.867 flat angles P-C4'-P energy: -120.351 tors. eta vs tors. theta energy: -199.384 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: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2265.634477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.634477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.634477 (E_RNA) where: Base-Base interactions energy: -1590.300 where: short stacking energy: -716.869 Base-Backbone interact. energy: -3.190 local terms energy: -672.144961 where: bonds (distance) C4'-P energy: -134.894 bonds (distance) P-C4' energy: -144.946 flat angles C4'-P-C4' energy: -144.813 flat angles P-C4'-P energy: -86.751 tors. eta vs tors. theta energy: -160.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2178.819334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.819334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.819334 (E_RNA) where: Base-Base interactions energy: -1493.415 where: short stacking energy: -684.475 Base-Backbone interact. energy: -1.177 local terms energy: -684.227570 where: bonds (distance) C4'-P energy: -131.783 bonds (distance) P-C4' energy: -142.369 flat angles C4'-P-C4' energy: -152.152 flat angles P-C4'-P energy: -90.550 tors. eta vs tors. theta energy: -167.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1920.633999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.633999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.633999 (E_RNA) where: Base-Base interactions energy: -1302.349 where: short stacking energy: -569.990 Base-Backbone interact. energy: -3.015 local terms energy: -615.270269 where: bonds (distance) C4'-P energy: -134.130 bonds (distance) P-C4' energy: -140.245 flat angles C4'-P-C4' energy: -140.594 flat angles P-C4'-P energy: -81.070 tors. eta vs tors. theta energy: -119.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1628.774929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.774929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.774929 (E_RNA) where: Base-Base interactions energy: -1080.933 where: short stacking energy: -477.402 Base-Backbone interact. energy: -0.167 local terms energy: -547.675525 where: bonds (distance) C4'-P energy: -124.355 bonds (distance) P-C4' energy: -106.565 flat angles C4'-P-C4' energy: -137.221 flat angles P-C4'-P energy: -77.422 tors. eta vs tors. theta energy: -102.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1364.092972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.092972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.092972 (E_RNA) where: Base-Base interactions energy: -877.196 where: short stacking energy: -418.994 Base-Backbone interact. energy: -4.627 local terms energy: -482.270393 where: bonds (distance) C4'-P energy: -108.612 bonds (distance) P-C4' energy: -119.780 flat angles C4'-P-C4' energy: -123.884 flat angles P-C4'-P energy: -78.756 tors. eta vs tors. theta energy: -51.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2992.843707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.843707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.843707 (E_RNA) where: Base-Base interactions energy: -2120.114 where: short stacking energy: -872.509 Base-Backbone interact. energy: -3.185 local terms energy: -869.544892 where: bonds (distance) C4'-P energy: -156.994 bonds (distance) P-C4' energy: -158.493 flat angles C4'-P-C4' energy: -181.947 flat angles P-C4'-P energy: -128.454 tors. eta vs tors. theta energy: -243.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2856.532843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.532843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.532843 (E_RNA) where: Base-Base interactions energy: -2014.171 where: short stacking energy: -860.649 Base-Backbone interact. energy: -3.373 local terms energy: -838.989459 where: bonds (distance) C4'-P energy: -150.722 bonds (distance) P-C4' energy: -156.199 flat angles C4'-P-C4' energy: -187.712 flat angles P-C4'-P energy: -118.081 tors. eta vs tors. theta energy: -226.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2755.658519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.658519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.658519 (E_RNA) where: Base-Base interactions energy: -1977.652 where: short stacking energy: -830.304 Base-Backbone interact. energy: -1.768 local terms energy: -776.238576 where: bonds (distance) C4'-P energy: -149.016 bonds (distance) P-C4' energy: -154.668 flat angles C4'-P-C4' energy: -162.288 flat angles P-C4'-P energy: -105.425 tors. eta vs tors. theta energy: -204.841 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: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2701.903823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.903823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.903823 (E_RNA) where: Base-Base interactions energy: -1884.249 where: short stacking energy: -841.880 Base-Backbone interact. energy: -2.532 local terms energy: -815.123239 where: bonds (distance) C4'-P energy: -137.314 bonds (distance) P-C4' energy: -155.345 flat angles C4'-P-C4' energy: -178.553 flat angles P-C4'-P energy: -105.049 tors. eta vs tors. theta energy: -238.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2475.598628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.598628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.598628 (E_RNA) where: Base-Base interactions energy: -1720.825 where: short stacking energy: -775.003 Base-Backbone interact. energy: 0.249 local terms energy: -755.022291 where: bonds (distance) C4'-P energy: -146.385 bonds (distance) P-C4' energy: -135.337 flat angles C4'-P-C4' energy: -163.093 flat angles P-C4'-P energy: -106.400 tors. eta vs tors. theta energy: -203.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2325.418089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.418089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.418089 (E_RNA) where: Base-Base interactions energy: -1602.228 where: short stacking energy: -693.430 Base-Backbone interact. energy: 1.680 local terms energy: -724.870166 where: bonds (distance) C4'-P energy: -141.707 bonds (distance) P-C4' energy: -149.872 flat angles C4'-P-C4' energy: -150.951 flat angles P-C4'-P energy: -88.198 tors. eta vs tors. theta energy: -194.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -2147.957910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.957910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.957910 (E_RNA) where: Base-Base interactions energy: -1489.458 where: short stacking energy: -645.716 Base-Backbone interact. energy: -0.816 local terms energy: -657.683542 where: bonds (distance) C4'-P energy: -133.113 bonds (distance) P-C4' energy: -138.709 flat angles C4'-P-C4' energy: -146.531 flat angles P-C4'-P energy: -93.266 tors. eta vs tors. theta energy: -146.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -2013.194358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.194358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.194358 (E_RNA) where: Base-Base interactions energy: -1368.843 where: short stacking energy: -613.198 Base-Backbone interact. energy: -2.153 local terms energy: -642.198694 where: bonds (distance) C4'-P energy: -102.129 bonds (distance) P-C4' energy: -171.657 flat angles C4'-P-C4' energy: -155.276 flat angles P-C4'-P energy: -72.703 tors. eta vs tors. theta energy: -140.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1647.766631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.766631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.766631 (E_RNA) where: Base-Base interactions energy: -1103.196 where: short stacking energy: -485.417 Base-Backbone interact. energy: 3.945 local terms energy: -548.515319 where: bonds (distance) C4'-P energy: -111.167 bonds (distance) P-C4' energy: -132.295 flat angles C4'-P-C4' energy: -130.647 flat angles P-C4'-P energy: -87.644 tors. eta vs tors. theta energy: -86.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1387.046004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.046004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.046004 (E_RNA) where: Base-Base interactions energy: -885.802 where: short stacking energy: -407.836 Base-Backbone interact. energy: 1.682 local terms energy: -502.925502 where: bonds (distance) C4'-P energy: -106.652 bonds (distance) P-C4' energy: -135.865 flat angles C4'-P-C4' energy: -126.650 flat angles P-C4'-P energy: -73.598 tors. eta vs tors. theta energy: -60.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2988.248280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.248280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.248280 (E_RNA) where: Base-Base interactions energy: -2132.107 where: short stacking energy: -890.566 Base-Backbone interact. energy: -5.711 local terms energy: -850.430006 where: bonds (distance) C4'-P energy: -163.975 bonds (distance) P-C4' energy: -148.798 flat angles C4'-P-C4' energy: -183.825 flat angles P-C4'-P energy: -118.333 tors. eta vs tors. theta energy: -235.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2892.478447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.478447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.478447 (E_RNA) where: Base-Base interactions energy: -2016.008 where: short stacking energy: -844.638 Base-Backbone interact. energy: -3.558 local terms energy: -872.912757 where: bonds (distance) C4'-P energy: -160.487 bonds (distance) P-C4' energy: -168.291 flat angles C4'-P-C4' energy: -185.270 flat angles P-C4'-P energy: -131.833 tors. eta vs tors. theta energy: -227.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2845.625586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.625586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.625586 (E_RNA) where: Base-Base interactions energy: -2030.133 where: short stacking energy: -828.312 Base-Backbone interact. energy: -4.367 local terms energy: -811.125796 where: bonds (distance) C4'-P energy: -148.473 bonds (distance) P-C4' energy: -153.930 flat angles C4'-P-C4' energy: -174.571 flat angles P-C4'-P energy: -123.257 tors. eta vs tors. theta energy: -210.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2681.104721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.104721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.104721 (E_RNA) where: Base-Base interactions energy: -1900.190 where: short stacking energy: -782.365 Base-Backbone interact. energy: -2.076 local terms energy: -778.838476 where: bonds (distance) C4'-P energy: -147.534 bonds (distance) P-C4' energy: -149.562 flat angles C4'-P-C4' energy: -170.334 flat angles P-C4'-P energy: -105.083 tors. eta vs tors. theta energy: -206.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2492.949614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.949614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.949614 (E_RNA) where: Base-Base interactions energy: -1749.028 where: short stacking energy: -804.572 Base-Backbone interact. energy: 2.013 local terms energy: -745.935174 where: bonds (distance) C4'-P energy: -130.232 bonds (distance) P-C4' energy: -136.786 flat angles C4'-P-C4' energy: -168.798 flat angles P-C4'-P energy: -98.967 tors. eta vs tors. theta energy: -211.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2314.917058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.917058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.917058 (E_RNA) where: Base-Base interactions energy: -1599.570 where: short stacking energy: -683.247 Base-Backbone interact. energy: -0.065 local terms energy: -715.282180 where: bonds (distance) C4'-P energy: -122.399 bonds (distance) P-C4' energy: -160.235 flat angles C4'-P-C4' energy: -163.269 flat angles P-C4'-P energy: -98.763 tors. eta vs tors. theta energy: -170.615 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: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2139.564891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.564891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.564891 (E_RNA) where: Base-Base interactions energy: -1496.871 where: short stacking energy: -625.520 Base-Backbone interact. energy: -4.562 local terms energy: -638.131773 where: bonds (distance) C4'-P energy: -130.875 bonds (distance) P-C4' energy: -122.369 flat angles C4'-P-C4' energy: -154.986 flat angles P-C4'-P energy: -85.346 tors. eta vs tors. theta energy: -144.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -2042.863353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.863353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.863353 (E_RNA) where: Base-Base interactions energy: -1414.066 where: short stacking energy: -603.143 Base-Backbone interact. energy: 2.919 local terms energy: -631.716406 where: bonds (distance) C4'-P energy: -141.372 bonds (distance) P-C4' energy: -142.531 flat angles C4'-P-C4' energy: -142.376 flat angles P-C4'-P energy: -74.034 tors. eta vs tors. theta energy: -131.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1608.150639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.150639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.150639 (E_RNA) where: Base-Base interactions energy: -1048.528 where: short stacking energy: -478.182 Base-Backbone interact. energy: -3.385 local terms energy: -556.237232 where: bonds (distance) C4'-P energy: -136.958 bonds (distance) P-C4' energy: -126.468 flat angles C4'-P-C4' energy: -126.874 flat angles P-C4'-P energy: -85.215 tors. eta vs tors. theta energy: -80.722 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: 6 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1499.577810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.577810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.577810 (E_RNA) where: Base-Base interactions energy: -973.834 where: short stacking energy: -409.483 Base-Backbone interact. energy: -1.231 local terms energy: -524.512634 where: bonds (distance) C4'-P energy: -144.106 bonds (distance) P-C4' energy: -140.772 flat angles C4'-P-C4' energy: -128.632 flat angles P-C4'-P energy: -59.751 tors. eta vs tors. theta energy: -51.252 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: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2997.891921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.891921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.891921 (E_RNA) where: Base-Base interactions energy: -2141.230 where: short stacking energy: -895.598 Base-Backbone interact. energy: -3.082 local terms energy: -853.580190 where: bonds (distance) C4'-P energy: -159.785 bonds (distance) P-C4' energy: -166.544 flat angles C4'-P-C4' energy: -183.552 flat angles P-C4'-P energy: -108.219 tors. eta vs tors. theta energy: -235.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2886.661973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.661973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.661973 (E_RNA) where: Base-Base interactions energy: -2071.071 where: short stacking energy: -859.891 Base-Backbone interact. energy: -0.979 local terms energy: -814.612323 where: bonds (distance) C4'-P energy: -158.206 bonds (distance) P-C4' energy: -146.229 flat angles C4'-P-C4' energy: -168.658 flat angles P-C4'-P energy: -122.579 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: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2825.502273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.502273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.502273 (E_RNA) where: Base-Base interactions energy: -1999.559 where: short stacking energy: -800.540 Base-Backbone interact. energy: -4.874 local terms energy: -821.069448 where: bonds (distance) C4'-P energy: -164.915 bonds (distance) P-C4' energy: -158.763 flat angles C4'-P-C4' energy: -173.828 flat angles P-C4'-P energy: -110.219 tors. eta vs tors. theta energy: -213.344 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: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2648.895833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.895833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.895833 (E_RNA) where: Base-Base interactions energy: -1865.841 where: short stacking energy: -784.492 Base-Backbone interact. energy: -4.959 local terms energy: -778.096339 where: bonds (distance) C4'-P energy: -136.087 bonds (distance) P-C4' energy: -142.494 flat angles C4'-P-C4' energy: -176.247 flat angles P-C4'-P energy: -107.034 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: 5, replica: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2442.809661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.809661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.809661 (E_RNA) where: Base-Base interactions energy: -1708.822 where: short stacking energy: -763.749 Base-Backbone interact. energy: -1.598 local terms energy: -732.389090 where: bonds (distance) C4'-P energy: -141.200 bonds (distance) P-C4' energy: -150.196 flat angles C4'-P-C4' energy: -163.415 flat angles P-C4'-P energy: -97.846 tors. eta vs tors. theta energy: -179.732 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: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2337.736947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.736947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.736947 (E_RNA) where: Base-Base interactions energy: -1641.608 where: short stacking energy: -720.474 Base-Backbone interact. energy: -3.241 local terms energy: -692.887514 where: bonds (distance) C4'-P energy: -119.922 bonds (distance) P-C4' energy: -144.139 flat angles C4'-P-C4' energy: -153.253 flat angles P-C4'-P energy: -96.823 tors. eta vs tors. theta energy: -178.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2124.685875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.685875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.685875 (E_RNA) where: Base-Base interactions energy: -1439.096 where: short stacking energy: -634.392 Base-Backbone interact. energy: -0.071 local terms energy: -685.518848 where: bonds (distance) C4'-P energy: -122.721 bonds (distance) P-C4' energy: -149.744 flat angles C4'-P-C4' energy: -159.317 flat angles P-C4'-P energy: -98.152 tors. eta vs tors. theta energy: -155.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1970.908861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.908861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.908861 (E_RNA) where: Base-Base interactions energy: -1336.644 where: short stacking energy: -599.993 Base-Backbone interact. energy: -3.112 local terms energy: -631.152698 where: bonds (distance) C4'-P energy: -131.181 bonds (distance) P-C4' energy: -121.832 flat angles C4'-P-C4' energy: -144.091 flat angles P-C4'-P energy: -96.271 tors. eta vs tors. theta energy: -137.778 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: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1675.358611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.358611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.358611 (E_RNA) where: Base-Base interactions energy: -1144.890 where: short stacking energy: -481.645 Base-Backbone interact. energy: 5.728 local terms energy: -536.195775 where: bonds (distance) C4'-P energy: -133.064 bonds (distance) P-C4' energy: -128.360 flat angles C4'-P-C4' energy: -134.341 flat angles P-C4'-P energy: -70.335 tors. eta vs tors. theta energy: -70.096 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: 6 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1561.211147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.211147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.211147 (E_RNA) where: Base-Base interactions energy: -1054.556 where: short stacking energy: -470.534 Base-Backbone interact. energy: -3.521 local terms energy: -503.134123 where: bonds (distance) C4'-P energy: -121.543 bonds (distance) P-C4' energy: -113.431 flat angles C4'-P-C4' energy: -124.537 flat angles P-C4'-P energy: -77.722 tors. eta vs tors. theta energy: -65.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -3006.126949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.126949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.126949 (E_RNA) where: Base-Base interactions energy: -2118.332 where: short stacking energy: -900.292 Base-Backbone interact. energy: -2.000 local terms energy: -885.794580 where: bonds (distance) C4'-P energy: -164.227 bonds (distance) P-C4' energy: -169.308 flat angles C4'-P-C4' energy: -187.688 flat angles P-C4'-P energy: -122.675 tors. eta vs tors. theta energy: -241.897 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: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2894.517529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.517529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.517529 (E_RNA) where: Base-Base interactions energy: -2088.639 where: short stacking energy: -829.903 Base-Backbone interact. energy: -3.003 local terms energy: -802.875521 where: bonds (distance) C4'-P energy: -144.055 bonds (distance) P-C4' energy: -152.119 flat angles C4'-P-C4' energy: -185.797 flat angles P-C4'-P energy: -103.723 tors. eta vs tors. theta energy: -217.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2817.439277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.439277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.439277 (E_RNA) where: Base-Base interactions energy: -2011.034 where: short stacking energy: -832.233 Base-Backbone interact. energy: -3.365 local terms energy: -803.040353 where: bonds (distance) C4'-P energy: -159.733 bonds (distance) P-C4' energy: -148.893 flat angles C4'-P-C4' energy: -176.403 flat angles P-C4'-P energy: -105.884 tors. eta vs tors. theta energy: -212.128 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: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2673.009548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.009548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.009548 (E_RNA) where: Base-Base interactions energy: -1900.127 where: short stacking energy: -805.135 Base-Backbone interact. energy: 0.403 local terms energy: -773.286122 where: bonds (distance) C4'-P energy: -141.246 bonds (distance) P-C4' energy: -142.463 flat angles C4'-P-C4' energy: -169.593 flat angles P-C4'-P energy: -95.514 tors. eta vs tors. theta energy: -224.470 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: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2446.990287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.990287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.990287 (E_RNA) where: Base-Base interactions energy: -1698.958 where: short stacking energy: -715.344 Base-Backbone interact. energy: 3.632 local terms energy: -751.663847 where: bonds (distance) C4'-P energy: -138.152 bonds (distance) P-C4' energy: -150.015 flat angles C4'-P-C4' energy: -182.923 flat angles P-C4'-P energy: -99.461 tors. eta vs tors. theta energy: -181.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2387.289449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.289449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.289449 (E_RNA) where: Base-Base interactions energy: -1680.664 where: short stacking energy: -684.657 Base-Backbone interact. energy: -0.142 local terms energy: -706.483592 where: bonds (distance) C4'-P energy: -129.846 bonds (distance) P-C4' energy: -147.345 flat angles C4'-P-C4' energy: -158.108 flat angles P-C4'-P energy: -106.577 tors. eta vs tors. theta energy: -164.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -2041.007476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.007476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.007476 (E_RNA) where: Base-Base interactions energy: -1380.875 where: short stacking energy: -619.210 Base-Backbone interact. energy: -0.032 local terms energy: -660.100541 where: bonds (distance) C4'-P energy: -124.357 bonds (distance) P-C4' energy: -148.505 flat angles C4'-P-C4' energy: -157.516 flat angles P-C4'-P energy: -85.781 tors. eta vs tors. theta energy: -143.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -2084.935634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.935634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.935634 (E_RNA) where: Base-Base interactions energy: -1429.472 where: short stacking energy: -602.469 Base-Backbone interact. energy: 1.479 local terms energy: -656.943114 where: bonds (distance) C4'-P energy: -126.640 bonds (distance) P-C4' energy: -149.061 flat angles C4'-P-C4' energy: -148.715 flat angles P-C4'-P energy: -97.240 tors. eta vs tors. theta energy: -135.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1772.738761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.738761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.738761 (E_RNA) where: Base-Base interactions energy: -1176.468 where: short stacking energy: -541.968 Base-Backbone interact. energy: 9.104 local terms energy: -605.374940 where: bonds (distance) C4'-P energy: -134.553 bonds (distance) P-C4' energy: -138.489 flat angles C4'-P-C4' energy: -139.185 flat angles P-C4'-P energy: -93.954 tors. eta vs tors. theta energy: -99.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1535.672921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.672921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.672921 (E_RNA) where: Base-Base interactions energy: -985.357 where: short stacking energy: -434.246 Base-Backbone interact. energy: 2.509 local terms energy: -552.825090 where: bonds (distance) C4'-P energy: -123.902 bonds (distance) P-C4' energy: -132.551 flat angles C4'-P-C4' energy: -133.044 flat angles P-C4'-P energy: -77.390 tors. eta vs tors. theta energy: -85.938 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: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -3020.664316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.664316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.664316 (E_RNA) where: Base-Base interactions energy: -2150.893 where: short stacking energy: -915.246 Base-Backbone interact. energy: -7.005 local terms energy: -862.766403 where: bonds (distance) C4'-P energy: -164.964 bonds (distance) P-C4' energy: -151.052 flat angles C4'-P-C4' energy: -181.070 flat angles P-C4'-P energy: -126.112 tors. eta vs tors. theta energy: -239.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2912.045449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.045449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.045449 (E_RNA) where: Base-Base interactions energy: -2079.384 where: short stacking energy: -877.038 Base-Backbone interact. energy: -0.808 local terms energy: -831.853616 where: bonds (distance) C4'-P energy: -156.178 bonds (distance) P-C4' energy: -156.148 flat angles C4'-P-C4' energy: -178.505 flat angles P-C4'-P energy: -133.178 tors. eta vs tors. theta energy: -207.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2796.350912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.350912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.350912 (E_RNA) where: Base-Base interactions energy: -2005.450 where: short stacking energy: -815.707 Base-Backbone interact. energy: -6.982 local terms energy: -783.919351 where: bonds (distance) C4'-P energy: -153.055 bonds (distance) P-C4' energy: -140.849 flat angles C4'-P-C4' energy: -177.133 flat angles P-C4'-P energy: -109.133 tors. eta vs tors. theta energy: -203.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2676.073315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.073315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.073315 (E_RNA) where: Base-Base interactions energy: -1901.470 where: short stacking energy: -798.208 Base-Backbone interact. energy: -4.145 local terms energy: -770.459035 where: bonds (distance) C4'-P energy: -135.650 bonds (distance) P-C4' energy: -137.092 flat angles C4'-P-C4' energy: -158.086 flat angles P-C4'-P energy: -123.673 tors. eta vs tors. theta energy: -215.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2459.341378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.341378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.341378 (E_RNA) where: Base-Base interactions energy: -1702.068 where: short stacking energy: -721.711 Base-Backbone interact. energy: -1.227 local terms energy: -756.047245 where: bonds (distance) C4'-P energy: -130.490 bonds (distance) P-C4' energy: -148.546 flat angles C4'-P-C4' energy: -169.914 flat angles P-C4'-P energy: -114.754 tors. eta vs tors. theta energy: -192.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2368.961349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.961349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.961349 (E_RNA) where: Base-Base interactions energy: -1632.790 where: short stacking energy: -686.119 Base-Backbone interact. energy: 2.274 local terms energy: -738.445675 where: bonds (distance) C4'-P energy: -149.067 bonds (distance) P-C4' energy: -158.097 flat angles C4'-P-C4' energy: -154.771 flat angles P-C4'-P energy: -105.336 tors. eta vs tors. theta energy: -171.175 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: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1988.869785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.869785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.869785 (E_RNA) where: Base-Base interactions energy: -1359.954 where: short stacking energy: -609.852 Base-Backbone interact. energy: -1.278 local terms energy: -627.637839 where: bonds (distance) C4'-P energy: -125.141 bonds (distance) P-C4' energy: -122.846 flat angles C4'-P-C4' energy: -143.536 flat angles P-C4'-P energy: -89.850 tors. eta vs tors. theta energy: -146.264 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: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1982.464215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.464215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.464215 (E_RNA) where: Base-Base interactions energy: -1376.948 where: short stacking energy: -575.452 Base-Backbone interact. energy: 2.840 local terms energy: -608.355562 where: bonds (distance) C4'-P energy: -111.898 bonds (distance) P-C4' energy: -147.009 flat angles C4'-P-C4' energy: -140.146 flat angles P-C4'-P energy: -77.622 tors. eta vs tors. theta energy: -131.681 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: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1885.523165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.523165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.523165 (E_RNA) where: Base-Base interactions energy: -1260.719 where: short stacking energy: -573.634 Base-Backbone interact. energy: 3.842 local terms energy: -628.645324 where: bonds (distance) C4'-P energy: -132.006 bonds (distance) P-C4' energy: -131.019 flat angles C4'-P-C4' energy: -157.192 flat angles P-C4'-P energy: -83.702 tors. eta vs tors. theta energy: -124.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1458.561469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.561469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.561469 (E_RNA) where: Base-Base interactions energy: -938.227 where: short stacking energy: -391.043 Base-Backbone interact. energy: -2.923 local terms energy: -517.411247 where: bonds (distance) C4'-P energy: -130.672 bonds (distance) P-C4' energy: -118.315 flat angles C4'-P-C4' energy: -130.132 flat angles P-C4'-P energy: -70.938 tors. eta vs tors. theta energy: -67.355 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: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2997.388975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.388975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.388975 (E_RNA) where: Base-Base interactions energy: -2124.879 where: short stacking energy: -898.635 Base-Backbone interact. energy: -4.275 local terms energy: -868.234957 where: bonds (distance) C4'-P energy: -153.094 bonds (distance) P-C4' energy: -164.625 flat angles C4'-P-C4' energy: -189.907 flat angles P-C4'-P energy: -123.854 tors. eta vs tors. theta energy: -236.754 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: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2909.281855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.281855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.281855 (E_RNA) where: Base-Base interactions energy: -2096.200 where: short stacking energy: -903.768 Base-Backbone interact. energy: -0.398 local terms energy: -812.683987 where: bonds (distance) C4'-P energy: -146.627 bonds (distance) P-C4' energy: -152.717 flat angles C4'-P-C4' energy: -176.386 flat angles P-C4'-P energy: -119.929 tors. eta vs tors. theta energy: -217.025 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: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2680.562062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.562062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.562062 (E_RNA) where: Base-Base interactions energy: -1885.333 where: short stacking energy: -794.901 Base-Backbone interact. energy: -3.037 local terms energy: -792.191427 where: bonds (distance) C4'-P energy: -147.156 bonds (distance) P-C4' energy: -149.255 flat angles C4'-P-C4' energy: -173.078 flat angles P-C4'-P energy: -113.708 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: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2756.097640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.097640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.097640 (E_RNA) where: Base-Base interactions energy: -1972.006 where: short stacking energy: -769.727 Base-Backbone interact. energy: -5.104 local terms energy: -778.987445 where: bonds (distance) C4'-P energy: -153.199 bonds (distance) P-C4' energy: -160.593 flat angles C4'-P-C4' energy: -158.077 flat angles P-C4'-P energy: -114.068 tors. eta vs tors. theta energy: -193.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2456.367588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.367588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.367588 (E_RNA) where: Base-Base interactions energy: -1751.091 where: short stacking energy: -728.958 Base-Backbone interact. energy: 5.642 local terms energy: -710.918154 where: bonds (distance) C4'-P energy: -139.867 bonds (distance) P-C4' energy: -141.375 flat angles C4'-P-C4' energy: -162.338 flat angles P-C4'-P energy: -92.545 tors. eta vs tors. theta energy: -174.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2321.713557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.713557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.713557 (E_RNA) where: Base-Base interactions energy: -1620.567 where: short stacking energy: -732.310 Base-Backbone interact. energy: 2.087 local terms energy: -703.233632 where: bonds (distance) C4'-P energy: -129.042 bonds (distance) P-C4' energy: -146.231 flat angles C4'-P-C4' energy: -164.905 flat angles P-C4'-P energy: -91.999 tors. eta vs tors. theta energy: -171.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2010.453990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.453990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.453990 (E_RNA) where: Base-Base interactions energy: -1373.420 where: short stacking energy: -650.128 Base-Backbone interact. energy: 1.442 local terms energy: -638.476271 where: bonds (distance) C4'-P energy: -119.710 bonds (distance) P-C4' energy: -131.398 flat angles C4'-P-C4' energy: -148.306 flat angles P-C4'-P energy: -81.531 tors. eta vs tors. theta energy: -157.531 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: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1950.655612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.655612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.655612 (E_RNA) where: Base-Base interactions energy: -1326.330 where: short stacking energy: -573.245 Base-Backbone interact. energy: -1.201 local terms energy: -623.124332 where: bonds (distance) C4'-P energy: -128.321 bonds (distance) P-C4' energy: -139.676 flat angles C4'-P-C4' energy: -133.182 flat angles P-C4'-P energy: -93.465 tors. eta vs tors. theta energy: -128.480 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: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1741.551758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.551758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.551758 (E_RNA) where: Base-Base interactions energy: -1169.917 where: short stacking energy: -500.112 Base-Backbone interact. energy: 1.250 local terms energy: -572.884576 where: bonds (distance) C4'-P energy: -137.673 bonds (distance) P-C4' energy: -132.370 flat angles C4'-P-C4' energy: -133.661 flat angles P-C4'-P energy: -79.304 tors. eta vs tors. theta energy: -89.877 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: 190 Temperature: 1.350000 Total energy: -1558.471231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.471231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.471231 (E_RNA) where: Base-Base interactions energy: -1032.314 where: short stacking energy: -439.208 Base-Backbone interact. energy: -4.833 local terms energy: -521.324737 where: bonds (distance) C4'-P energy: -121.466 bonds (distance) P-C4' energy: -135.714 flat angles C4'-P-C4' energy: -135.730 flat angles P-C4'-P energy: -60.032 tors. eta vs tors. theta energy: -68.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -3012.048225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.048225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.048225 (E_RNA) where: Base-Base interactions energy: -2155.798 where: short stacking energy: -914.216 Base-Backbone interact. energy: -5.490 local terms energy: -850.760559 where: bonds (distance) C4'-P energy: -154.559 bonds (distance) P-C4' energy: -162.188 flat angles C4'-P-C4' energy: -185.191 flat angles P-C4'-P energy: -111.997 tors. eta vs tors. theta energy: -236.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2925.834161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.834161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.834161 (E_RNA) where: Base-Base interactions energy: -2081.868 where: short stacking energy: -866.949 Base-Backbone interact. energy: -4.023 local terms energy: -839.943052 where: bonds (distance) C4'-P energy: -156.180 bonds (distance) P-C4' energy: -156.603 flat angles C4'-P-C4' energy: -178.072 flat angles P-C4'-P energy: -126.722 tors. eta vs tors. theta energy: -222.366 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: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2722.362632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.362632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.362632 (E_RNA) where: Base-Base interactions energy: -1915.811 where: short stacking energy: -826.098 Base-Backbone interact. energy: -4.399 local terms energy: -802.152367 where: bonds (distance) C4'-P energy: -140.631 bonds (distance) P-C4' energy: -139.978 flat angles C4'-P-C4' energy: -182.219 flat angles P-C4'-P energy: -122.725 tors. eta vs tors. theta energy: -216.598 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: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2670.827069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.827069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.827069 (E_RNA) where: Base-Base interactions energy: -1913.762 where: short stacking energy: -777.969 Base-Backbone interact. energy: 0.670 local terms energy: -757.735310 where: bonds (distance) C4'-P energy: -137.660 bonds (distance) P-C4' energy: -147.451 flat angles C4'-P-C4' energy: -160.073 flat angles P-C4'-P energy: -114.054 tors. eta vs tors. theta energy: -198.497 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: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2451.548595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.548595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.548595 (E_RNA) where: Base-Base interactions energy: -1715.192 where: short stacking energy: -752.408 Base-Backbone interact. energy: 0.004 local terms energy: -736.360613 where: bonds (distance) C4'-P energy: -147.865 bonds (distance) P-C4' energy: -135.882 flat angles C4'-P-C4' energy: -167.952 flat angles P-C4'-P energy: -101.497 tors. eta vs tors. theta energy: -183.164 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: 1 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2386.391232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.391232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.391232 (E_RNA) where: Base-Base interactions energy: -1674.652 where: short stacking energy: -722.989 Base-Backbone interact. energy: -2.298 local terms energy: -709.440783 where: bonds (distance) C4'-P energy: -151.137 bonds (distance) P-C4' energy: -129.169 flat angles C4'-P-C4' energy: -149.997 flat angles P-C4'-P energy: -91.344 tors. eta vs tors. theta energy: -187.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1983.153051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.153051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.153051 (E_RNA) where: Base-Base interactions energy: -1340.569 where: short stacking energy: -608.854 Base-Backbone interact. energy: -1.118 local terms energy: -641.466072 where: bonds (distance) C4'-P energy: -141.806 bonds (distance) P-C4' energy: -134.906 flat angles C4'-P-C4' energy: -139.573 flat angles P-C4'-P energy: -93.441 tors. eta vs tors. theta energy: -131.740 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: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -2023.638961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.638961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.638961 (E_RNA) where: Base-Base interactions energy: -1423.746 where: short stacking energy: -624.522 Base-Backbone interact. energy: -1.809 local terms energy: -598.084415 where: bonds (distance) C4'-P energy: -115.589 bonds (distance) P-C4' energy: -131.262 flat angles C4'-P-C4' energy: -147.485 flat angles P-C4'-P energy: -69.282 tors. eta vs tors. theta energy: -134.467 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: 9, replica: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1734.257344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.257344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.257344 (E_RNA) where: Base-Base interactions energy: -1161.831 where: short stacking energy: -526.647 Base-Backbone interact. energy: -1.909 local terms energy: -570.518268 where: bonds (distance) C4'-P energy: -122.726 bonds (distance) P-C4' energy: -138.169 flat angles C4'-P-C4' energy: -140.553 flat angles P-C4'-P energy: -69.858 tors. eta vs tors. theta energy: -99.212 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: 10, replica: 6 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1524.453945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.453945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.453945 (E_RNA) where: Base-Base interactions energy: -981.611 where: short stacking energy: -449.018 Base-Backbone interact. energy: 2.924 local terms energy: -545.766370 where: bonds (distance) C4'-P energy: -119.422 bonds (distance) P-C4' energy: -140.284 flat angles C4'-P-C4' energy: -149.889 flat angles P-C4'-P energy: -65.079 tors. eta vs tors. theta energy: -71.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3003.661602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.661602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.661602 (E_RNA) where: Base-Base interactions energy: -2158.619 where: short stacking energy: -896.990 Base-Backbone interact. energy: -1.243 local terms energy: -843.799514 where: bonds (distance) C4'-P energy: -142.160 bonds (distance) P-C4' energy: -156.140 flat angles C4'-P-C4' energy: -188.357 flat angles P-C4'-P energy: -124.527 tors. eta vs tors. theta energy: -232.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2902.865829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.865829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.865829 (E_RNA) where: Base-Base interactions energy: -2060.057 where: short stacking energy: -855.483 Base-Backbone interact. energy: 0.048 local terms energy: -842.856687 where: bonds (distance) C4'-P energy: -152.825 bonds (distance) P-C4' energy: -174.636 flat angles C4'-P-C4' energy: -178.053 flat angles P-C4'-P energy: -119.589 tors. eta vs tors. theta energy: -217.754 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: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2727.254905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.254905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.254905 (E_RNA) where: Base-Base interactions energy: -1942.163 where: short stacking energy: -843.195 Base-Backbone interact. energy: -2.015 local terms energy: -783.077292 where: bonds (distance) C4'-P energy: -143.757 bonds (distance) P-C4' energy: -156.456 flat angles C4'-P-C4' energy: -159.395 flat angles P-C4'-P energy: -106.650 tors. eta vs tors. theta energy: -216.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2690.084960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.084960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.084960 (E_RNA) where: Base-Base interactions energy: -1906.323 where: short stacking energy: -781.250 Base-Backbone interact. energy: -4.372 local terms energy: -779.389599 where: bonds (distance) C4'-P energy: -145.456 bonds (distance) P-C4' energy: -144.056 flat angles C4'-P-C4' energy: -169.556 flat angles P-C4'-P energy: -111.840 tors. eta vs tors. theta energy: -208.481 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: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2434.550931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.550931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.550931 (E_RNA) where: Base-Base interactions energy: -1672.372 where: short stacking energy: -743.036 Base-Backbone interact. energy: -4.702 local terms energy: -757.476615 where: bonds (distance) C4'-P energy: -157.364 bonds (distance) P-C4' energy: -141.609 flat angles C4'-P-C4' energy: -165.912 flat angles P-C4'-P energy: -107.155 tors. eta vs tors. theta energy: -185.437 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: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2420.286170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.286170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.286170 (E_RNA) where: Base-Base interactions energy: -1684.761 where: short stacking energy: -733.523 Base-Backbone interact. energy: -3.612 local terms energy: -731.913101 where: bonds (distance) C4'-P energy: -125.708 bonds (distance) P-C4' energy: -131.317 flat angles C4'-P-C4' energy: -185.846 flat angles P-C4'-P energy: -104.175 tors. eta vs tors. theta energy: -184.867 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: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2113.714463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.714463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.714463 (E_RNA) where: Base-Base interactions energy: -1443.721 where: short stacking energy: -634.696 Base-Backbone interact. energy: -2.072 local terms energy: -667.921469 where: bonds (distance) C4'-P energy: -126.539 bonds (distance) P-C4' energy: -145.296 flat angles C4'-P-C4' energy: -153.585 flat angles P-C4'-P energy: -101.651 tors. eta vs tors. theta energy: -140.850 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: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1943.181772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.181772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.181772 (E_RNA) where: Base-Base interactions energy: -1318.453 where: short stacking energy: -579.403 Base-Backbone interact. energy: -0.345 local terms energy: -624.384269 where: bonds (distance) C4'-P energy: -126.293 bonds (distance) P-C4' energy: -132.840 flat angles C4'-P-C4' energy: -139.671 flat angles P-C4'-P energy: -85.309 tors. eta vs tors. theta energy: -140.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1733.268181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.268181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.268181 (E_RNA) where: Base-Base interactions energy: -1155.955 where: short stacking energy: -504.269 Base-Backbone interact. energy: -2.733 local terms energy: -574.579847 where: bonds (distance) C4'-P energy: -129.539 bonds (distance) P-C4' energy: -111.787 flat angles C4'-P-C4' energy: -141.973 flat angles P-C4'-P energy: -84.354 tors. eta vs tors. theta energy: -106.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1560.548864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.548864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.548864 (E_RNA) where: Base-Base interactions energy: -1030.008 where: short stacking energy: -444.002 Base-Backbone interact. energy: -2.391 local terms energy: -528.150360 where: bonds (distance) C4'-P energy: -123.235 bonds (distance) P-C4' energy: -126.926 flat angles C4'-P-C4' energy: -117.787 flat angles P-C4'-P energy: -63.999 tors. eta vs tors. theta energy: -96.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3003.051806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.051806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.051806 (E_RNA) where: Base-Base interactions energy: -2155.174 where: short stacking energy: -880.510 Base-Backbone interact. energy: -3.444 local terms energy: -844.433562 where: bonds (distance) C4'-P energy: -151.364 bonds (distance) P-C4' energy: -159.237 flat angles C4'-P-C4' energy: -186.294 flat angles P-C4'-P energy: -119.513 tors. eta vs tors. theta energy: -228.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2892.906038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.906038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.906038 (E_RNA) where: Base-Base interactions energy: -2047.721 where: short stacking energy: -846.384 Base-Backbone interact. energy: -7.673 local terms energy: -837.511468 where: bonds (distance) C4'-P energy: -144.667 bonds (distance) P-C4' energy: -158.289 flat angles C4'-P-C4' energy: -179.365 flat angles P-C4'-P energy: -132.837 tors. eta vs tors. theta energy: -222.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2711.126883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.126883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.126883 (E_RNA) where: Base-Base interactions energy: -1917.348 where: short stacking energy: -837.129 Base-Backbone interact. energy: -4.703 local terms energy: -789.075774 where: bonds (distance) C4'-P energy: -139.263 bonds (distance) P-C4' energy: -154.830 flat angles C4'-P-C4' energy: -178.904 flat angles P-C4'-P energy: -99.264 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: 4, replica: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2657.906436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.906436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.906436 (E_RNA) where: Base-Base interactions energy: -1907.388 where: short stacking energy: -785.873 Base-Backbone interact. energy: -3.511 local terms energy: -747.007681 where: bonds (distance) C4'-P energy: -122.636 bonds (distance) P-C4' energy: -135.897 flat angles C4'-P-C4' energy: -165.887 flat angles P-C4'-P energy: -124.708 tors. eta vs tors. theta energy: -197.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2416.117773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.117773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.117773 (E_RNA) where: Base-Base interactions energy: -1697.802 where: short stacking energy: -751.946 Base-Backbone interact. energy: 4.331 local terms energy: -722.646367 where: bonds (distance) C4'-P energy: -144.894 bonds (distance) P-C4' energy: -135.495 flat angles C4'-P-C4' energy: -171.150 flat angles P-C4'-P energy: -84.151 tors. eta vs tors. theta energy: -186.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2361.086138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.086138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.086138 (E_RNA) where: Base-Base interactions energy: -1672.019 where: short stacking energy: -699.531 Base-Backbone interact. energy: -3.301 local terms energy: -685.765696 where: bonds (distance) C4'-P energy: -123.973 bonds (distance) P-C4' energy: -140.504 flat angles C4'-P-C4' energy: -150.670 flat angles P-C4'-P energy: -97.524 tors. eta vs tors. theta energy: -173.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -2170.986238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.986238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.986238 (E_RNA) where: Base-Base interactions energy: -1520.418 where: short stacking energy: -686.070 Base-Backbone interact. energy: -1.608 local terms energy: -648.959373 where: bonds (distance) C4'-P energy: -129.371 bonds (distance) P-C4' energy: -129.444 flat angles C4'-P-C4' energy: -138.992 flat angles P-C4'-P energy: -107.554 tors. eta vs tors. theta energy: -143.598 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: 4 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1927.845338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.845338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.845338 (E_RNA) where: Base-Base interactions energy: -1295.239 where: short stacking energy: -575.529 Base-Backbone interact. energy: -0.910 local terms energy: -631.696324 where: bonds (distance) C4'-P energy: -145.892 bonds (distance) P-C4' energy: -142.871 flat angles C4'-P-C4' energy: -136.632 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: -132.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1715.536740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.536740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.536740 (E_RNA) where: Base-Base interactions energy: -1181.414 where: short stacking energy: -517.068 Base-Backbone interact. energy: 4.385 local terms energy: -538.507783 where: bonds (distance) C4'-P energy: -107.597 bonds (distance) P-C4' energy: -136.082 flat angles C4'-P-C4' energy: -132.038 flat angles P-C4'-P energy: -59.434 tors. eta vs tors. theta energy: -103.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1535.918946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.918946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.918946 (E_RNA) where: Base-Base interactions energy: -1043.557 where: short stacking energy: -481.644 Base-Backbone interact. energy: -1.086 local terms energy: -491.275452 where: bonds (distance) C4'-P energy: -140.641 bonds (distance) P-C4' energy: -117.119 flat angles C4'-P-C4' energy: -102.528 flat angles P-C4'-P energy: -67.566 tors. eta vs tors. theta energy: -63.422 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: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2999.913884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.913884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.913884 (E_RNA) where: Base-Base interactions energy: -2144.669 where: short stacking energy: -887.756 Base-Backbone interact. energy: -2.071 local terms energy: -853.173047 where: bonds (distance) C4'-P energy: -149.449 bonds (distance) P-C4' energy: -178.519 flat angles C4'-P-C4' energy: -182.576 flat angles P-C4'-P energy: -122.439 tors. eta vs tors. theta energy: -220.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2902.286660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.286660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.286660 (E_RNA) where: Base-Base interactions energy: -2042.819 where: short stacking energy: -846.760 Base-Backbone interact. energy: -4.949 local terms energy: -854.518771 where: bonds (distance) C4'-P energy: -164.633 bonds (distance) P-C4' energy: -149.986 flat angles C4'-P-C4' energy: -189.140 flat angles P-C4'-P energy: -125.761 tors. eta vs tors. theta energy: -224.998 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: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2701.333298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.333298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.333298 (E_RNA) where: Base-Base interactions energy: -1889.157 where: short stacking energy: -812.348 Base-Backbone interact. energy: -1.436 local terms energy: -810.740391 where: bonds (distance) C4'-P energy: -148.751 bonds (distance) P-C4' energy: -159.172 flat angles C4'-P-C4' energy: -182.756 flat angles P-C4'-P energy: -107.122 tors. eta vs tors. theta energy: -212.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2676.366781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.366781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.366781 (E_RNA) where: Base-Base interactions energy: -1909.836 where: short stacking energy: -802.488 Base-Backbone interact. energy: -1.062 local terms energy: -765.468459 where: bonds (distance) C4'-P energy: -156.494 bonds (distance) P-C4' energy: -141.847 flat angles C4'-P-C4' energy: -172.446 flat angles P-C4'-P energy: -95.775 tors. eta vs tors. theta energy: -198.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2464.472547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.472547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.472547 (E_RNA) where: Base-Base interactions energy: -1712.903 where: short stacking energy: -723.541 Base-Backbone interact. energy: -0.075 local terms energy: -751.494624 where: bonds (distance) C4'-P energy: -151.204 bonds (distance) P-C4' energy: -151.530 flat angles C4'-P-C4' energy: -159.754 flat angles P-C4'-P energy: -114.018 tors. eta vs tors. theta energy: -174.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2359.921865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.921865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.921865 (E_RNA) where: Base-Base interactions energy: -1638.934 where: short stacking energy: -732.756 Base-Backbone interact. energy: 0.861 local terms energy: -721.848598 where: bonds (distance) C4'-P energy: -136.926 bonds (distance) P-C4' energy: -141.046 flat angles C4'-P-C4' energy: -154.608 flat angles P-C4'-P energy: -106.224 tors. eta vs tors. theta energy: -183.045 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: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -2177.141350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.141350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.141350 (E_RNA) where: Base-Base interactions energy: -1506.694 where: short stacking energy: -639.693 Base-Backbone interact. energy: -0.769 local terms energy: -669.678387 where: bonds (distance) C4'-P energy: -148.157 bonds (distance) P-C4' energy: -113.898 flat angles C4'-P-C4' energy: -158.972 flat angles P-C4'-P energy: -92.805 tors. eta vs tors. theta energy: -155.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1916.459795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.459795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.459795 (E_RNA) where: Base-Base interactions energy: -1291.034 where: short stacking energy: -591.143 Base-Backbone interact. energy: -0.940 local terms energy: -624.485749 where: bonds (distance) C4'-P energy: -128.570 bonds (distance) P-C4' energy: -146.757 flat angles C4'-P-C4' energy: -147.601 flat angles P-C4'-P energy: -79.144 tors. eta vs tors. theta energy: -122.413 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: 9, replica: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1723.644718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.644718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.644718 (E_RNA) where: Base-Base interactions energy: -1160.634 where: short stacking energy: -510.978 Base-Backbone interact. energy: 2.703 local terms energy: -565.714118 where: bonds (distance) C4'-P energy: -125.495 bonds (distance) P-C4' energy: -128.655 flat angles C4'-P-C4' energy: -144.746 flat angles P-C4'-P energy: -75.229 tors. eta vs tors. theta energy: -91.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1588.677391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.677391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.677391 (E_RNA) where: Base-Base interactions energy: -1057.339 where: short stacking energy: -476.509 Base-Backbone interact. energy: 0.238 local terms energy: -531.576323 where: bonds (distance) C4'-P energy: -123.470 bonds (distance) P-C4' energy: -124.450 flat angles C4'-P-C4' energy: -130.391 flat angles P-C4'-P energy: -61.843 tors. eta vs tors. theta energy: -91.422 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: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3000.277918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.277918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.277918 (E_RNA) where: Base-Base interactions energy: -2139.874 where: short stacking energy: -868.163 Base-Backbone interact. energy: 1.502 local terms energy: -861.905650 where: bonds (distance) C4'-P energy: -148.672 bonds (distance) P-C4' energy: -165.802 flat angles C4'-P-C4' energy: -188.352 flat angles P-C4'-P energy: -128.813 tors. eta vs tors. theta energy: -230.266 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: 10 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2917.969557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.969557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.969557 (E_RNA) where: Base-Base interactions energy: -2066.812 where: short stacking energy: -849.663 Base-Backbone interact. energy: -1.604 local terms energy: -849.553290 where: bonds (distance) C4'-P energy: -157.988 bonds (distance) P-C4' energy: -158.754 flat angles C4'-P-C4' energy: -174.381 flat angles P-C4'-P energy: -129.377 tors. eta vs tors. theta energy: -229.053 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: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2659.894271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.894271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.894271 (E_RNA) where: Base-Base interactions energy: -1876.447 where: short stacking energy: -797.533 Base-Backbone interact. energy: 1.076 local terms energy: -784.523088 where: bonds (distance) C4'-P energy: -135.959 bonds (distance) P-C4' energy: -147.847 flat angles C4'-P-C4' energy: -177.893 flat angles P-C4'-P energy: -103.142 tors. eta vs tors. theta energy: -219.682 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: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2696.456168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.456168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.456168 (E_RNA) where: Base-Base interactions energy: -1946.539 where: short stacking energy: -820.012 Base-Backbone interact. energy: -0.303 local terms energy: -749.613882 where: bonds (distance) C4'-P energy: -133.967 bonds (distance) P-C4' energy: -130.525 flat angles C4'-P-C4' energy: -175.652 flat angles P-C4'-P energy: -108.220 tors. eta vs tors. theta energy: -201.250 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: 5, replica: 1 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2501.413771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.413771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.413771 (E_RNA) where: Base-Base interactions energy: -1753.466 where: short stacking energy: -762.106 Base-Backbone interact. energy: -2.903 local terms energy: -745.044655 where: bonds (distance) C4'-P energy: -142.513 bonds (distance) P-C4' energy: -138.710 flat angles C4'-P-C4' energy: -163.735 flat angles P-C4'-P energy: -96.541 tors. eta vs tors. theta energy: -203.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2292.683208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.683208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.683208 (E_RNA) where: Base-Base interactions energy: -1587.802 where: short stacking energy: -704.990 Base-Backbone interact. energy: 0.405 local terms energy: -705.285581 where: bonds (distance) C4'-P energy: -148.488 bonds (distance) P-C4' energy: -129.189 flat angles C4'-P-C4' energy: -150.523 flat angles P-C4'-P energy: -111.454 tors. eta vs tors. theta energy: -165.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -2132.104483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.104483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.104483 (E_RNA) where: Base-Base interactions energy: -1459.389 where: short stacking energy: -605.002 Base-Backbone interact. energy: -0.043 local terms energy: -672.671885 where: bonds (distance) C4'-P energy: -139.444 bonds (distance) P-C4' energy: -137.870 flat angles C4'-P-C4' energy: -153.985 flat angles P-C4'-P energy: -92.490 tors. eta vs tors. theta energy: -148.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1941.423774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.423774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.423774 (E_RNA) where: Base-Base interactions energy: -1289.936 where: short stacking energy: -556.203 Base-Backbone interact. energy: -1.948 local terms energy: -649.539225 where: bonds (distance) C4'-P energy: -143.907 bonds (distance) P-C4' energy: -139.041 flat angles C4'-P-C4' energy: -141.659 flat angles P-C4'-P energy: -96.006 tors. eta vs tors. theta energy: -128.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1715.856472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.856472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.856472 (E_RNA) where: Base-Base interactions energy: -1143.181 where: short stacking energy: -492.969 Base-Backbone interact. energy: -1.605 local terms energy: -571.070837 where: bonds (distance) C4'-P energy: -123.694 bonds (distance) P-C4' energy: -130.821 flat angles C4'-P-C4' energy: -144.122 flat angles P-C4'-P energy: -72.859 tors. eta vs tors. theta energy: -99.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1611.578459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.578459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.578459 (E_RNA) where: Base-Base interactions energy: -1058.097 where: short stacking energy: -487.696 Base-Backbone interact. energy: -0.880 local terms energy: -552.601441 where: bonds (distance) C4'-P energy: -142.711 bonds (distance) P-C4' energy: -135.937 flat angles C4'-P-C4' energy: -99.426 flat angles P-C4'-P energy: -69.052 tors. eta vs tors. theta energy: -105.475 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: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2975.541620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.541620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.541620 (E_RNA) where: Base-Base interactions energy: -2099.215 where: short stacking energy: -861.182 Base-Backbone interact. energy: -0.451 local terms energy: -875.875748 where: bonds (distance) C4'-P energy: -154.508 bonds (distance) P-C4' energy: -180.014 flat angles C4'-P-C4' energy: -188.349 flat angles P-C4'-P energy: -125.009 tors. eta vs tors. theta energy: -227.995 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: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2957.264012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.264012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.264012 (E_RNA) where: Base-Base interactions energy: -2092.413 where: short stacking energy: -881.872 Base-Backbone interact. energy: -4.335 local terms energy: -860.516334 where: bonds (distance) C4'-P energy: -166.481 bonds (distance) P-C4' energy: -155.265 flat angles C4'-P-C4' energy: -184.837 flat angles P-C4'-P energy: -128.640 tors. eta vs tors. theta energy: -225.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2665.713936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.713936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.713936 (E_RNA) where: Base-Base interactions energy: -1832.097 where: short stacking energy: -823.503 Base-Backbone interact. energy: -0.904 local terms energy: -832.712907 where: bonds (distance) C4'-P energy: -151.743 bonds (distance) P-C4' energy: -150.656 flat angles C4'-P-C4' energy: -182.574 flat angles P-C4'-P energy: -121.202 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: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2710.968367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.968367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.968367 (E_RNA) where: Base-Base interactions energy: -1944.365 where: short stacking energy: -812.274 Base-Backbone interact. energy: -3.954 local terms energy: -762.649524 where: bonds (distance) C4'-P energy: -124.179 bonds (distance) P-C4' energy: -160.701 flat angles C4'-P-C4' energy: -159.537 flat angles P-C4'-P energy: -105.094 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: 5, replica: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2575.415642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.415642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.415642 (E_RNA) where: Base-Base interactions energy: -1788.160 where: short stacking energy: -776.100 Base-Backbone interact. energy: 3.888 local terms energy: -791.143601 where: bonds (distance) C4'-P energy: -162.238 bonds (distance) P-C4' energy: -147.792 flat angles C4'-P-C4' energy: -168.511 flat angles P-C4'-P energy: -102.276 tors. eta vs tors. theta energy: -210.327 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: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2250.319348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.319348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.319348 (E_RNA) where: Base-Base interactions energy: -1528.254 where: short stacking energy: -685.305 Base-Backbone interact. energy: -3.688 local terms energy: -718.377940 where: bonds (distance) C4'-P energy: -138.141 bonds (distance) P-C4' energy: -142.567 flat angles C4'-P-C4' energy: -159.495 flat angles P-C4'-P energy: -106.438 tors. eta vs tors. theta energy: -171.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -2145.964254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.964254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.964254 (E_RNA) where: Base-Base interactions energy: -1479.974 where: short stacking energy: -620.575 Base-Backbone interact. energy: -4.491 local terms energy: -661.499204 where: bonds (distance) C4'-P energy: -139.422 bonds (distance) P-C4' energy: -147.858 flat angles C4'-P-C4' energy: -156.134 flat angles P-C4'-P energy: -104.011 tors. eta vs tors. theta energy: -114.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1943.556579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.556579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.556579 (E_RNA) where: Base-Base interactions energy: -1299.311 where: short stacking energy: -557.865 Base-Backbone interact. energy: 2.033 local terms energy: -646.278304 where: bonds (distance) C4'-P energy: -130.915 bonds (distance) P-C4' energy: -135.584 flat angles C4'-P-C4' energy: -138.304 flat angles P-C4'-P energy: -102.153 tors. eta vs tors. theta energy: -139.323 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: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1664.350702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.350702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.350702 (E_RNA) where: Base-Base interactions energy: -1117.746 where: short stacking energy: -512.010 Base-Backbone interact. energy: -1.629 local terms energy: -544.975170 where: bonds (distance) C4'-P energy: -122.521 bonds (distance) P-C4' energy: -124.964 flat angles C4'-P-C4' energy: -130.354 flat angles P-C4'-P energy: -73.829 tors. eta vs tors. theta energy: -93.307 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: 6 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1607.816441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.816441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.816441 (E_RNA) where: Base-Base interactions energy: -1078.183 where: short stacking energy: -468.385 Base-Backbone interact. energy: -0.235 local terms energy: -529.398513 where: bonds (distance) C4'-P energy: -123.312 bonds (distance) P-C4' energy: -140.562 flat angles C4'-P-C4' energy: -124.216 flat angles P-C4'-P energy: -71.789 tors. eta vs tors. theta energy: -69.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2993.069952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.069952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.069952 (E_RNA) where: Base-Base interactions energy: -2131.685 where: short stacking energy: -877.775 Base-Backbone interact. energy: -6.745 local terms energy: -854.639931 where: bonds (distance) C4'-P energy: -144.404 bonds (distance) P-C4' energy: -164.329 flat angles C4'-P-C4' energy: -193.910 flat angles P-C4'-P energy: -126.420 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: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2955.622942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.622942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.622942 (E_RNA) where: Base-Base interactions energy: -2131.856 where: short stacking energy: -891.891 Base-Backbone interact. energy: -5.155 local terms energy: -818.612202 where: bonds (distance) C4'-P energy: -138.126 bonds (distance) P-C4' energy: -156.400 flat angles C4'-P-C4' energy: -181.586 flat angles P-C4'-P energy: -114.514 tors. eta vs tors. theta energy: -227.985 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: 197 Temperature: 1.000000 Total energy: -2678.151181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.151181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.151181 (E_RNA) where: Base-Base interactions energy: -1883.017 where: short stacking energy: -846.008 Base-Backbone interact. energy: -2.811 local terms energy: -792.323274 where: bonds (distance) C4'-P energy: -144.823 bonds (distance) P-C4' energy: -165.183 flat angles C4'-P-C4' energy: -162.298 flat angles P-C4'-P energy: -93.534 tors. eta vs tors. theta energy: -226.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2674.607896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.607896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.607896 (E_RNA) where: Base-Base interactions energy: -1903.875 where: short stacking energy: -755.916 Base-Backbone interact. energy: 1.378 local terms energy: -772.110483 where: bonds (distance) C4'-P energy: -143.302 bonds (distance) P-C4' energy: -154.790 flat angles C4'-P-C4' energy: -167.155 flat angles P-C4'-P energy: -107.623 tors. eta vs tors. theta energy: -199.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2531.645072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.645072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.645072 (E_RNA) where: Base-Base interactions energy: -1825.077 where: short stacking energy: -762.724 Base-Backbone interact. energy: 2.116 local terms energy: -708.683937 where: bonds (distance) C4'-P energy: -130.122 bonds (distance) P-C4' energy: -121.099 flat angles C4'-P-C4' energy: -161.908 flat angles P-C4'-P energy: -105.286 tors. eta vs tors. theta energy: -190.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2241.641039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.641039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.641039 (E_RNA) where: Base-Base interactions energy: -1525.236 where: short stacking energy: -673.062 Base-Backbone interact. energy: 4.561 local terms energy: -720.966372 where: bonds (distance) C4'-P energy: -143.404 bonds (distance) P-C4' energy: -149.187 flat angles C4'-P-C4' energy: -147.257 flat angles P-C4'-P energy: -104.777 tors. eta vs tors. theta energy: -176.343 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: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -2124.611040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.611040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.611040 (E_RNA) where: Base-Base interactions energy: -1434.713 where: short stacking energy: -628.696 Base-Backbone interact. energy: -2.636 local terms energy: -687.262289 where: bonds (distance) C4'-P energy: -129.029 bonds (distance) P-C4' energy: -149.447 flat angles C4'-P-C4' energy: -154.127 flat angles P-C4'-P energy: -110.321 tors. eta vs tors. theta energy: -144.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1912.138519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.138519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.138519 (E_RNA) where: Base-Base interactions energy: -1307.868 where: short stacking energy: -577.583 Base-Backbone interact. energy: -4.331 local terms energy: -599.938968 where: bonds (distance) C4'-P energy: -127.729 bonds (distance) P-C4' energy: -124.745 flat angles C4'-P-C4' energy: -149.195 flat angles P-C4'-P energy: -75.555 tors. eta vs tors. theta energy: -122.715 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: 9, replica: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1756.127341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.127341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.127341 (E_RNA) where: Base-Base interactions energy: -1187.998 where: short stacking energy: -558.302 Base-Backbone interact. energy: 6.123 local terms energy: -574.252222 where: bonds (distance) C4'-P energy: -131.674 bonds (distance) P-C4' energy: -134.386 flat angles C4'-P-C4' energy: -104.570 flat angles P-C4'-P energy: -82.091 tors. eta vs tors. theta energy: -121.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1597.102086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.102086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.102086 (E_RNA) where: Base-Base interactions energy: -1085.508 where: short stacking energy: -425.492 Base-Backbone interact. energy: 1.093 local terms energy: -512.686848 where: bonds (distance) C4'-P energy: -136.996 bonds (distance) P-C4' energy: -110.439 flat angles C4'-P-C4' energy: -118.418 flat angles P-C4'-P energy: -64.941 tors. eta vs tors. theta energy: -81.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -3006.109732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.109732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.109732 (E_RNA) where: Base-Base interactions energy: -2155.039 where: short stacking energy: -911.059 Base-Backbone interact. energy: -7.545 local terms energy: -843.525836 where: bonds (distance) C4'-P energy: -149.939 bonds (distance) P-C4' energy: -164.292 flat angles C4'-P-C4' energy: -177.520 flat angles P-C4'-P energy: -127.716 tors. eta vs tors. theta energy: -224.059 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: 7 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2950.043205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.043205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.043205 (E_RNA) where: Base-Base interactions energy: -2100.757 where: short stacking energy: -877.101 Base-Backbone interact. energy: -5.813 local terms energy: -843.472775 where: bonds (distance) C4'-P energy: -152.199 bonds (distance) P-C4' energy: -160.706 flat angles C4'-P-C4' energy: -184.287 flat angles P-C4'-P energy: -125.015 tors. eta vs tors. theta energy: -221.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2732.007963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.007963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.007963 (E_RNA) where: Base-Base interactions energy: -1929.685 where: short stacking energy: -781.153 Base-Backbone interact. energy: 1.066 local terms energy: -803.389280 where: bonds (distance) C4'-P energy: -158.916 bonds (distance) P-C4' energy: -156.306 flat angles C4'-P-C4' energy: -177.844 flat angles P-C4'-P energy: -107.368 tors. eta vs tors. theta energy: -202.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2590.420537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.420537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.420537 (E_RNA) where: Base-Base interactions energy: -1815.770 where: short stacking energy: -787.368 Base-Backbone interact. energy: -4.823 local terms energy: -769.828319 where: bonds (distance) C4'-P energy: -152.847 bonds (distance) P-C4' energy: -136.616 flat angles C4'-P-C4' energy: -164.521 flat angles P-C4'-P energy: -108.965 tors. eta vs tors. theta energy: -206.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2513.646469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.646469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.646469 (E_RNA) where: Base-Base interactions energy: -1753.988 where: short stacking energy: -762.246 Base-Backbone interact. energy: -1.560 local terms energy: -758.098314 where: bonds (distance) C4'-P energy: -142.268 bonds (distance) P-C4' energy: -138.153 flat angles C4'-P-C4' energy: -154.621 flat angles P-C4'-P energy: -109.882 tors. eta vs tors. theta energy: -213.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2203.398304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.398304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.398304 (E_RNA) where: Base-Base interactions energy: -1527.064 where: short stacking energy: -645.509 Base-Backbone interact. energy: -1.145 local terms energy: -675.189654 where: bonds (distance) C4'-P energy: -149.180 bonds (distance) P-C4' energy: -136.743 flat angles C4'-P-C4' energy: -143.553 flat angles P-C4'-P energy: -93.188 tors. eta vs tors. theta energy: -152.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -2086.208027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.208027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.208027 (E_RNA) where: Base-Base interactions energy: -1451.585 where: short stacking energy: -617.411 Base-Backbone interact. energy: -1.338 local terms energy: -633.284768 where: bonds (distance) C4'-P energy: -108.514 bonds (distance) P-C4' energy: -140.592 flat angles C4'-P-C4' energy: -144.400 flat angles P-C4'-P energy: -108.353 tors. eta vs tors. theta energy: -131.426 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: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1954.202478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.202478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.202478 (E_RNA) where: Base-Base interactions energy: -1304.173 where: short stacking energy: -589.989 Base-Backbone interact. energy: -1.180 local terms energy: -648.849910 where: bonds (distance) C4'-P energy: -123.800 bonds (distance) P-C4' energy: -153.739 flat angles C4'-P-C4' energy: -131.537 flat angles P-C4'-P energy: -96.443 tors. eta vs tors. theta energy: -143.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1693.823467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.823467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.823467 (E_RNA) where: Base-Base interactions energy: -1141.124 where: short stacking energy: -507.383 Base-Backbone interact. energy: 0.079 local terms energy: -552.778436 where: bonds (distance) C4'-P energy: -122.939 bonds (distance) P-C4' energy: -106.795 flat angles C4'-P-C4' energy: -130.759 flat angles P-C4'-P energy: -87.081 tors. eta vs tors. theta energy: -105.205 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: 198 Temperature: 1.350000 Total energy: -1587.318955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.318955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.318955 (E_RNA) where: Base-Base interactions energy: -1081.407 where: short stacking energy: -457.205 Base-Backbone interact. energy: -0.948 local terms energy: -504.964326 where: bonds (distance) C4'-P energy: -104.540 bonds (distance) P-C4' energy: -113.081 flat angles C4'-P-C4' energy: -136.685 flat angles P-C4'-P energy: -59.817 tors. eta vs tors. theta energy: -90.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3017.262668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.262668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.262668 (E_RNA) where: Base-Base interactions energy: -2149.953 where: short stacking energy: -899.169 Base-Backbone interact. energy: 1.960 local terms energy: -869.269906 where: bonds (distance) C4'-P energy: -164.599 bonds (distance) P-C4' energy: -175.868 flat angles C4'-P-C4' energy: -185.987 flat angles P-C4'-P energy: -112.784 tors. eta vs tors. theta energy: -230.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2949.696161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.696161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.696161 (E_RNA) where: Base-Base interactions energy: -2118.216 where: short stacking energy: -877.354 Base-Backbone interact. energy: 1.339 local terms energy: -832.818723 where: bonds (distance) C4'-P energy: -155.976 bonds (distance) P-C4' energy: -155.614 flat angles C4'-P-C4' energy: -178.314 flat angles P-C4'-P energy: -133.494 tors. eta vs tors. theta energy: -209.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2735.882404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.882404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.882404 (E_RNA) where: Base-Base interactions energy: -1992.680 where: short stacking energy: -800.198 Base-Backbone interact. energy: -1.481 local terms energy: -741.720614 where: bonds (distance) C4'-P energy: -135.083 bonds (distance) P-C4' energy: -135.395 flat angles C4'-P-C4' energy: -158.288 flat angles P-C4'-P energy: -109.767 tors. eta vs tors. theta energy: -203.188 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: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2570.179896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.179896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.179896 (E_RNA) where: Base-Base interactions energy: -1815.022 where: short stacking energy: -771.192 Base-Backbone interact. energy: -3.736 local terms energy: -751.421840 where: bonds (distance) C4'-P energy: -149.288 bonds (distance) P-C4' energy: -121.512 flat angles C4'-P-C4' energy: -166.983 flat angles P-C4'-P energy: -110.568 tors. eta vs tors. theta energy: -203.072 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: 5, replica: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2532.100791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.100791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.100791 (E_RNA) where: Base-Base interactions energy: -1753.359 where: short stacking energy: -743.395 Base-Backbone interact. energy: -3.415 local terms energy: -775.326946 where: bonds (distance) C4'-P energy: -126.864 bonds (distance) P-C4' energy: -153.402 flat angles C4'-P-C4' energy: -163.868 flat angles P-C4'-P energy: -118.922 tors. eta vs tors. theta energy: -212.270 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: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2204.213250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.213250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.213250 (E_RNA) where: Base-Base interactions energy: -1547.056 where: short stacking energy: -678.047 Base-Backbone interact. energy: -2.610 local terms energy: -654.547240 where: bonds (distance) C4'-P energy: -134.106 bonds (distance) P-C4' energy: -127.516 flat angles C4'-P-C4' energy: -147.738 flat angles P-C4'-P energy: -100.281 tors. eta vs tors. theta energy: -144.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -2139.234475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.234475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.234475 (E_RNA) where: Base-Base interactions energy: -1476.089 where: short stacking energy: -639.671 Base-Backbone interact. energy: -4.815 local terms energy: -658.330713 where: bonds (distance) C4'-P energy: -111.705 bonds (distance) P-C4' energy: -156.634 flat angles C4'-P-C4' energy: -151.990 flat angles P-C4'-P energy: -92.744 tors. eta vs tors. theta energy: -145.257 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: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1923.571460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.571460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.571460 (E_RNA) where: Base-Base interactions energy: -1298.217 where: short stacking energy: -566.066 Base-Backbone interact. energy: -4.424 local terms energy: -620.930812 where: bonds (distance) C4'-P energy: -150.405 bonds (distance) P-C4' energy: -136.187 flat angles C4'-P-C4' energy: -143.541 flat angles P-C4'-P energy: -71.002 tors. eta vs tors. theta energy: -119.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1763.968092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.968092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.968092 (E_RNA) where: Base-Base interactions energy: -1179.332 where: short stacking energy: -523.081 Base-Backbone interact. energy: -0.953 local terms energy: -583.683824 where: bonds (distance) C4'-P energy: -119.771 bonds (distance) P-C4' energy: -138.171 flat angles C4'-P-C4' energy: -138.539 flat angles P-C4'-P energy: -81.856 tors. eta vs tors. theta energy: -105.347 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: 6 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1626.202040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.202040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.202040 (E_RNA) where: Base-Base interactions energy: -1063.212 where: short stacking energy: -453.307 Base-Backbone interact. energy: 4.920 local terms energy: -567.909410 where: bonds (distance) C4'-P energy: -144.999 bonds (distance) P-C4' energy: -155.831 flat angles C4'-P-C4' energy: -118.380 flat angles P-C4'-P energy: -76.128 tors. eta vs tors. theta energy: -72.571 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: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2977.588823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.588823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.588823 (E_RNA) where: Base-Base interactions energy: -2128.139 where: short stacking energy: -878.625 Base-Backbone interact. energy: -5.165 local terms energy: -844.284796 where: bonds (distance) C4'-P energy: -163.018 bonds (distance) P-C4' energy: -166.053 flat angles C4'-P-C4' energy: -168.156 flat angles P-C4'-P energy: -123.825 tors. eta vs tors. theta energy: -223.234 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: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2944.902149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.902149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.902149 (E_RNA) where: Base-Base interactions energy: -2108.297 where: short stacking energy: -858.030 Base-Backbone interact. energy: -6.606 local terms energy: -829.999362 where: bonds (distance) C4'-P energy: -148.118 bonds (distance) P-C4' energy: -141.527 flat angles C4'-P-C4' energy: -193.072 flat angles P-C4'-P energy: -128.168 tors. eta vs tors. theta energy: -219.114 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: 3, replica: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2752.209282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.209282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.209282 (E_RNA) where: Base-Base interactions energy: -1980.867 where: short stacking energy: -805.865 Base-Backbone interact. energy: -4.050 local terms energy: -767.292747 where: bonds (distance) C4'-P energy: -142.027 bonds (distance) P-C4' energy: -148.807 flat angles C4'-P-C4' energy: -162.928 flat angles P-C4'-P energy: -104.394 tors. eta vs tors. theta energy: -209.136 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: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2625.128926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.128926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.128926 (E_RNA) where: Base-Base interactions energy: -1856.372 where: short stacking energy: -798.654 Base-Backbone interact. energy: 0.381 local terms energy: -769.137985 where: bonds (distance) C4'-P energy: -135.534 bonds (distance) P-C4' energy: -141.279 flat angles C4'-P-C4' energy: -169.653 flat angles P-C4'-P energy: -110.924 tors. eta vs tors. theta energy: -211.747 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: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2545.454475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.454475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.454475 (E_RNA) where: Base-Base interactions energy: -1791.144 where: short stacking energy: -757.187 Base-Backbone interact. energy: 2.624 local terms energy: -756.934665 where: bonds (distance) C4'-P energy: -142.727 bonds (distance) P-C4' energy: -156.322 flat angles C4'-P-C4' energy: -175.824 flat angles P-C4'-P energy: -89.701 tors. eta vs tors. theta energy: -192.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2291.835842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.835842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.835842 (E_RNA) where: Base-Base interactions energy: -1582.710 where: short stacking energy: -696.715 Base-Backbone interact. energy: -2.287 local terms energy: -706.838517 where: bonds (distance) C4'-P energy: -153.484 bonds (distance) P-C4' energy: -140.294 flat angles C4'-P-C4' energy: -148.353 flat angles P-C4'-P energy: -104.327 tors. eta vs tors. theta energy: -160.380 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: 7, replica: 2 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -2179.913614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.913614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.913614 (E_RNA) where: Base-Base interactions energy: -1485.802 where: short stacking energy: -656.623 Base-Backbone interact. energy: 0.491 local terms energy: -694.602259 where: bonds (distance) C4'-P energy: -141.238 bonds (distance) P-C4' energy: -130.932 flat angles C4'-P-C4' energy: -155.464 flat angles P-C4'-P energy: -100.380 tors. eta vs tors. theta energy: -166.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1956.495421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.495421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.495421 (E_RNA) where: Base-Base interactions energy: -1365.714 where: short stacking energy: -612.733 Base-Backbone interact. energy: 0.134 local terms energy: -590.915455 where: bonds (distance) C4'-P energy: -108.337 bonds (distance) P-C4' energy: -105.713 flat angles C4'-P-C4' energy: -141.677 flat angles P-C4'-P energy: -88.341 tors. eta vs tors. theta energy: -146.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1773.898363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.898363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.898363 (E_RNA) where: Base-Base interactions energy: -1184.701 where: short stacking energy: -531.565 Base-Backbone interact. energy: -0.447 local terms energy: -588.750416 where: bonds (distance) C4'-P energy: -124.039 bonds (distance) P-C4' energy: -121.255 flat angles C4'-P-C4' energy: -126.335 flat angles P-C4'-P energy: -84.438 tors. eta vs tors. theta energy: -132.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1544.146128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.146128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.146128 (E_RNA) where: Base-Base interactions energy: -1051.422 where: short stacking energy: -437.081 Base-Backbone interact. energy: -1.910 local terms energy: -490.813965 where: bonds (distance) C4'-P energy: -110.859 bonds (distance) P-C4' energy: -121.000 flat angles C4'-P-C4' energy: -122.542 flat angles P-C4'-P energy: -59.628 tors. eta vs tors. theta energy: -76.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2965.438990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.438990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.438990 (E_RNA) where: Base-Base interactions energy: -2121.741 where: short stacking energy: -871.529 Base-Backbone interact. energy: -3.651 local terms energy: -840.047552 where: bonds (distance) C4'-P energy: -142.651 bonds (distance) P-C4' energy: -163.167 flat angles C4'-P-C4' energy: -183.493 flat angles P-C4'-P energy: -127.879 tors. eta vs tors. theta energy: -222.857 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: 7 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2943.894609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.894609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.894609 (E_RNA) where: Base-Base interactions energy: -2096.551 where: short stacking energy: -865.785 Base-Backbone interact. energy: -4.113 local terms energy: -843.231147 where: bonds (distance) C4'-P energy: -166.934 bonds (distance) P-C4' energy: -148.125 flat angles C4'-P-C4' energy: -177.970 flat angles P-C4'-P energy: -124.953 tors. eta vs tors. theta energy: -225.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2755.594139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.594139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.594139 (E_RNA) where: Base-Base interactions energy: -1939.467 where: short stacking energy: -791.939 Base-Backbone interact. energy: -1.278 local terms energy: -814.848488 where: bonds (distance) C4'-P energy: -149.271 bonds (distance) P-C4' energy: -167.347 flat angles C4'-P-C4' energy: -174.000 flat angles P-C4'-P energy: -110.107 tors. eta vs tors. theta energy: -214.123 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: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2606.122435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.122435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.122435 (E_RNA) where: Base-Base interactions energy: -1833.600 where: short stacking energy: -781.790 Base-Backbone interact. energy: -1.179 local terms energy: -771.342899 where: bonds (distance) C4'-P energy: -148.535 bonds (distance) P-C4' energy: -139.449 flat angles C4'-P-C4' energy: -169.932 flat angles P-C4'-P energy: -110.560 tors. eta vs tors. theta energy: -202.867 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: 1 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2561.765463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.765463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.765463 (E_RNA) where: Base-Base interactions energy: -1807.921 where: short stacking energy: -819.678 Base-Backbone interact. energy: -3.008 local terms energy: -750.836829 where: bonds (distance) C4'-P energy: -140.597 bonds (distance) P-C4' energy: -123.117 flat angles C4'-P-C4' energy: -173.283 flat angles P-C4'-P energy: -94.518 tors. eta vs tors. theta energy: -219.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2214.837126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.837126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.837126 (E_RNA) where: Base-Base interactions energy: -1527.018 where: short stacking energy: -655.250 Base-Backbone interact. energy: -2.469 local terms energy: -685.350326 where: bonds (distance) C4'-P energy: -113.965 bonds (distance) P-C4' energy: -139.994 flat angles C4'-P-C4' energy: -160.147 flat angles P-C4'-P energy: -104.174 tors. eta vs tors. theta energy: -167.070 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: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -2127.062487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.062487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.062487 (E_RNA) where: Base-Base interactions energy: -1461.437 where: short stacking energy: -638.411 Base-Backbone interact. energy: -0.077 local terms energy: -665.548039 where: bonds (distance) C4'-P energy: -127.098 bonds (distance) P-C4' energy: -137.213 flat angles C4'-P-C4' energy: -157.919 flat angles P-C4'-P energy: -100.878 tors. eta vs tors. theta energy: -142.439 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: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1940.498402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.498402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.498402 (E_RNA) where: Base-Base interactions energy: -1338.476 where: short stacking energy: -581.885 Base-Backbone interact. energy: 0.003 local terms energy: -602.025785 where: bonds (distance) C4'-P energy: -113.444 bonds (distance) P-C4' energy: -122.412 flat angles C4'-P-C4' energy: -140.426 flat angles P-C4'-P energy: -95.823 tors. eta vs tors. theta energy: -129.921 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: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1690.686418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.686418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.686418 (E_RNA) where: Base-Base interactions energy: -1127.871 where: short stacking energy: -520.345 Base-Backbone interact. energy: -0.726 local terms energy: -562.089562 where: bonds (distance) C4'-P energy: -108.281 bonds (distance) P-C4' energy: -133.823 flat angles C4'-P-C4' energy: -125.159 flat angles P-C4'-P energy: -85.741 tors. eta vs tors. theta energy: -109.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1621.438731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.438731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.438731 (E_RNA) where: Base-Base interactions energy: -1128.669 where: short stacking energy: -498.655 Base-Backbone interact. energy: 0.284 local terms energy: -493.053971 where: bonds (distance) C4'-P energy: -93.330 bonds (distance) P-C4' energy: -123.064 flat angles C4'-P-C4' energy: -119.277 flat angles P-C4'-P energy: -69.624 tors. eta vs tors. theta energy: -87.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2988.050593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.050593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.050593 (E_RNA) where: Base-Base interactions energy: -2127.745 where: short stacking energy: -885.037 Base-Backbone interact. energy: -4.356 local terms energy: -855.949327 where: bonds (distance) C4'-P energy: -157.174 bonds (distance) P-C4' energy: -163.931 flat angles C4'-P-C4' energy: -186.100 flat angles P-C4'-P energy: -120.102 tors. eta vs tors. theta energy: -228.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2903.631571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.631571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.631571 (E_RNA) where: Base-Base interactions energy: -2055.547 where: short stacking energy: -873.962 Base-Backbone interact. energy: -6.295 local terms energy: -841.790212 where: bonds (distance) C4'-P energy: -165.974 bonds (distance) P-C4' energy: -152.932 flat angles C4'-P-C4' energy: -191.323 flat angles P-C4'-P energy: -108.659 tors. eta vs tors. theta energy: -222.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2763.597399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.597399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.597399 (E_RNA) where: Base-Base interactions energy: -1968.879 where: short stacking energy: -783.075 Base-Backbone interact. energy: -0.840 local terms energy: -793.878173 where: bonds (distance) C4'-P energy: -159.907 bonds (distance) P-C4' energy: -153.441 flat angles C4'-P-C4' energy: -171.838 flat angles P-C4'-P energy: -113.619 tors. eta vs tors. theta energy: -195.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2642.074423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.074423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.074423 (E_RNA) where: Base-Base interactions energy: -1859.286 where: short stacking energy: -779.230 Base-Backbone interact. energy: -0.497 local terms energy: -782.291918 where: bonds (distance) C4'-P energy: -151.136 bonds (distance) P-C4' energy: -146.954 flat angles C4'-P-C4' energy: -165.854 flat angles P-C4'-P energy: -108.870 tors. eta vs tors. theta energy: -209.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2549.024000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.024000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.024000 (E_RNA) where: Base-Base interactions energy: -1813.083 where: short stacking energy: -774.305 Base-Backbone interact. energy: -2.656 local terms energy: -733.285073 where: bonds (distance) C4'-P energy: -119.082 bonds (distance) P-C4' energy: -129.635 flat angles C4'-P-C4' energy: -168.554 flat angles P-C4'-P energy: -102.586 tors. eta vs tors. theta energy: -213.429 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: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2304.979294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.979294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.979294 (E_RNA) where: Base-Base interactions energy: -1630.671 where: short stacking energy: -691.211 Base-Backbone interact. energy: 1.838 local terms energy: -676.146308 where: bonds (distance) C4'-P energy: -123.005 bonds (distance) P-C4' energy: -121.565 flat angles C4'-P-C4' energy: -162.002 flat angles P-C4'-P energy: -104.710 tors. eta vs tors. theta energy: -164.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -2106.262336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.262336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.262336 (E_RNA) where: Base-Base interactions energy: -1451.426 where: short stacking energy: -639.885 Base-Backbone interact. energy: -0.629 local terms energy: -654.207365 where: bonds (distance) C4'-P energy: -121.547 bonds (distance) P-C4' energy: -135.492 flat angles C4'-P-C4' energy: -134.822 flat angles P-C4'-P energy: -98.670 tors. eta vs tors. theta energy: -163.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1912.829755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.829755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.829755 (E_RNA) where: Base-Base interactions energy: -1273.647 where: short stacking energy: -546.987 Base-Backbone interact. energy: -0.705 local terms energy: -638.477114 where: bonds (distance) C4'-P energy: -133.208 bonds (distance) P-C4' energy: -138.272 flat angles C4'-P-C4' energy: -150.046 flat angles P-C4'-P energy: -96.726 tors. eta vs tors. theta energy: -120.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1711.361867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.361867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.361867 (E_RNA) where: Base-Base interactions energy: -1176.913 where: short stacking energy: -518.835 Base-Backbone interact. energy: 3.813 local terms energy: -538.261810 where: bonds (distance) C4'-P energy: -118.853 bonds (distance) P-C4' energy: -120.640 flat angles C4'-P-C4' energy: -116.141 flat angles P-C4'-P energy: -76.384 tors. eta vs tors. theta energy: -106.243 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: 202 Temperature: 1.350000 Total energy: -1522.419932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.419932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.419932 (E_RNA) where: Base-Base interactions energy: -1009.514 where: short stacking energy: -474.015 Base-Backbone interact. energy: 6.546 local terms energy: -519.452161 where: bonds (distance) C4'-P energy: -103.353 bonds (distance) P-C4' energy: -144.607 flat angles C4'-P-C4' energy: -132.703 flat angles P-C4'-P energy: -66.455 tors. eta vs tors. theta energy: -72.334 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: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2983.668911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.668911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.668911 (E_RNA) where: Base-Base interactions energy: -2135.526 where: short stacking energy: -912.220 Base-Backbone interact. energy: -7.072 local terms energy: -841.071106 where: bonds (distance) C4'-P energy: -147.135 bonds (distance) P-C4' energy: -153.981 flat angles C4'-P-C4' energy: -181.710 flat angles P-C4'-P energy: -129.575 tors. eta vs tors. theta energy: -228.671 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: 2, replica: 7 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2920.066735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.066735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.066735 (E_RNA) where: Base-Base interactions energy: -2068.804 where: short stacking energy: -872.831 Base-Backbone interact. energy: -3.328 local terms energy: -847.934977 where: bonds (distance) C4'-P energy: -149.202 bonds (distance) P-C4' energy: -173.381 flat angles C4'-P-C4' energy: -185.363 flat angles P-C4'-P energy: -109.681 tors. eta vs tors. theta energy: -230.309 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: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2787.460940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.460940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.460940 (E_RNA) where: Base-Base interactions energy: -1991.399 where: short stacking energy: -826.684 Base-Backbone interact. energy: 1.594 local terms energy: -797.655691 where: bonds (distance) C4'-P energy: -145.323 bonds (distance) P-C4' energy: -143.972 flat angles C4'-P-C4' energy: -180.869 flat angles P-C4'-P energy: -121.824 tors. eta vs tors. theta energy: -205.668 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: 1 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2649.814926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.814926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.814926 (E_RNA) where: Base-Base interactions energy: -1828.623 where: short stacking energy: -810.834 Base-Backbone interact. energy: -2.406 local terms energy: -818.785977 where: bonds (distance) C4'-P energy: -141.166 bonds (distance) P-C4' energy: -151.722 flat angles C4'-P-C4' energy: -175.027 flat angles P-C4'-P energy: -131.096 tors. eta vs tors. theta energy: -219.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2526.903241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.903241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.903241 (E_RNA) where: Base-Base interactions energy: -1787.814 where: short stacking energy: -743.083 Base-Backbone interact. energy: 0.023 local terms energy: -739.111967 where: bonds (distance) C4'-P energy: -131.485 bonds (distance) P-C4' energy: -149.223 flat angles C4'-P-C4' energy: -164.623 flat angles P-C4'-P energy: -109.961 tors. eta vs tors. theta energy: -183.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2255.509090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.509090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.509090 (E_RNA) where: Base-Base interactions energy: -1551.314 where: short stacking energy: -677.131 Base-Backbone interact. energy: -2.047 local terms energy: -702.148176 where: bonds (distance) C4'-P energy: -138.014 bonds (distance) P-C4' energy: -143.238 flat angles C4'-P-C4' energy: -151.700 flat angles P-C4'-P energy: -94.143 tors. eta vs tors. theta energy: -175.053 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: 203 Temperature: 1.200000 Total energy: -2107.447505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.447505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.447505 (E_RNA) where: Base-Base interactions energy: -1459.696 where: short stacking energy: -621.798 Base-Backbone interact. energy: -2.894 local terms energy: -644.856844 where: bonds (distance) C4'-P energy: -137.315 bonds (distance) P-C4' energy: -131.589 flat angles C4'-P-C4' energy: -143.111 flat angles P-C4'-P energy: -83.279 tors. eta vs tors. theta energy: -149.562 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: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1962.276872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.276872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.276872 (E_RNA) where: Base-Base interactions energy: -1344.479 where: short stacking energy: -570.292 Base-Backbone interact. energy: -6.550 local terms energy: -611.247196 where: bonds (distance) C4'-P energy: -109.396 bonds (distance) P-C4' energy: -138.898 flat angles C4'-P-C4' energy: -147.983 flat angles P-C4'-P energy: -83.009 tors. eta vs tors. theta energy: -131.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1753.344172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.344172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.344172 (E_RNA) where: Base-Base interactions energy: -1156.419 where: short stacking energy: -512.108 Base-Backbone interact. energy: -2.666 local terms energy: -594.258804 where: bonds (distance) C4'-P energy: -153.831 bonds (distance) P-C4' energy: -138.239 flat angles C4'-P-C4' energy: -126.226 flat angles P-C4'-P energy: -76.892 tors. eta vs tors. theta energy: -99.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1516.884397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.884397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.884397 (E_RNA) where: Base-Base interactions energy: -967.190 where: short stacking energy: -439.176 Base-Backbone interact. energy: 5.086 local terms energy: -554.780457 where: bonds (distance) C4'-P energy: -132.328 bonds (distance) P-C4' energy: -128.404 flat angles C4'-P-C4' energy: -124.114 flat angles P-C4'-P energy: -99.185 tors. eta vs tors. theta energy: -70.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2982.534565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.534565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.534565 (E_RNA) where: Base-Base interactions energy: -2111.712 where: short stacking energy: -894.832 Base-Backbone interact. energy: -3.401 local terms energy: -867.422032 where: bonds (distance) C4'-P energy: -155.283 bonds (distance) P-C4' energy: -175.870 flat angles C4'-P-C4' energy: -182.172 flat angles P-C4'-P energy: -118.287 tors. eta vs tors. theta energy: -235.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2921.617439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.617439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.617439 (E_RNA) where: Base-Base interactions energy: -2080.071 where: short stacking energy: -859.907 Base-Backbone interact. energy: -4.419 local terms energy: -837.127407 where: bonds (distance) C4'-P energy: -150.229 bonds (distance) P-C4' energy: -152.872 flat angles C4'-P-C4' energy: -181.453 flat angles P-C4'-P energy: -125.045 tors. eta vs tors. theta energy: -227.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2801.524223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.524223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.524223 (E_RNA) where: Base-Base interactions energy: -1980.623 where: short stacking energy: -805.780 Base-Backbone interact. energy: -3.906 local terms energy: -816.994868 where: bonds (distance) C4'-P energy: -139.652 bonds (distance) P-C4' energy: -165.152 flat angles C4'-P-C4' energy: -173.922 flat angles P-C4'-P energy: -131.097 tors. eta vs tors. theta energy: -207.172 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: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2658.982156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.982156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.982156 (E_RNA) where: Base-Base interactions energy: -1867.878 where: short stacking energy: -812.665 Base-Backbone interact. energy: 1.811 local terms energy: -792.914995 where: bonds (distance) C4'-P energy: -147.497 bonds (distance) P-C4' energy: -147.203 flat angles C4'-P-C4' energy: -175.357 flat angles P-C4'-P energy: -107.088 tors. eta vs tors. theta energy: -215.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2536.710424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.710424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.710424 (E_RNA) where: Base-Base interactions energy: -1791.706 where: short stacking energy: -759.617 Base-Backbone interact. energy: -2.253 local terms energy: -742.750986 where: bonds (distance) C4'-P energy: -132.445 bonds (distance) P-C4' energy: -159.695 flat angles C4'-P-C4' energy: -168.983 flat angles P-C4'-P energy: -94.410 tors. eta vs tors. theta energy: -187.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2258.588805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.588805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.588805 (E_RNA) where: Base-Base interactions energy: -1551.247 where: short stacking energy: -665.004 Base-Backbone interact. energy: -0.876 local terms energy: -706.466168 where: bonds (distance) C4'-P energy: -139.116 bonds (distance) P-C4' energy: -135.156 flat angles C4'-P-C4' energy: -151.301 flat angles P-C4'-P energy: -109.799 tors. eta vs tors. theta energy: -171.094 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: 7, replica: 9 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -2142.280213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.280213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.280213 (E_RNA) where: Base-Base interactions energy: -1472.334 where: short stacking energy: -657.951 Base-Backbone interact. energy: -7.888 local terms energy: -662.058013 where: bonds (distance) C4'-P energy: -122.864 bonds (distance) P-C4' energy: -150.101 flat angles C4'-P-C4' energy: -137.484 flat angles P-C4'-P energy: -95.819 tors. eta vs tors. theta energy: -155.790 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: 4 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1900.779265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.779265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.779265 (E_RNA) where: Base-Base interactions energy: -1291.942 where: short stacking energy: -563.938 Base-Backbone interact. energy: 1.955 local terms energy: -610.792613 where: bonds (distance) C4'-P energy: -130.841 bonds (distance) P-C4' energy: -131.145 flat angles C4'-P-C4' energy: -144.190 flat angles P-C4'-P energy: -85.114 tors. eta vs tors. theta energy: -119.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1735.286120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.286120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.286120 (E_RNA) where: Base-Base interactions energy: -1197.097 where: short stacking energy: -540.766 Base-Backbone interact. energy: 0.070 local terms energy: -538.258581 where: bonds (distance) C4'-P energy: -95.364 bonds (distance) P-C4' energy: -134.137 flat angles C4'-P-C4' energy: -126.574 flat angles P-C4'-P energy: -77.006 tors. eta vs tors. theta energy: -105.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1528.826623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.826623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.826623 (E_RNA) where: Base-Base interactions energy: -1011.073 where: short stacking energy: -448.329 Base-Backbone interact. energy: -1.183 local terms energy: -516.570754 where: bonds (distance) C4'-P energy: -103.499 bonds (distance) P-C4' energy: -136.018 flat angles C4'-P-C4' energy: -117.104 flat angles P-C4'-P energy: -77.446 tors. eta vs tors. theta energy: -82.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3002.074160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.074160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.074160 (E_RNA) where: Base-Base interactions energy: -2120.437 where: short stacking energy: -914.174 Base-Backbone interact. energy: -4.749 local terms energy: -876.887965 where: bonds (distance) C4'-P energy: -168.059 bonds (distance) P-C4' energy: -167.897 flat angles C4'-P-C4' energy: -185.612 flat angles P-C4'-P energy: -118.429 tors. eta vs tors. theta energy: -236.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2923.478394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.478394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.478394 (E_RNA) where: Base-Base interactions energy: -2107.809 where: short stacking energy: -881.748 Base-Backbone interact. energy: -4.679 local terms energy: -810.990343 where: bonds (distance) C4'-P energy: -159.626 bonds (distance) P-C4' energy: -158.748 flat angles C4'-P-C4' energy: -158.066 flat angles P-C4'-P energy: -113.701 tors. eta vs tors. theta energy: -220.848 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: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2805.927297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.927297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.927297 (E_RNA) where: Base-Base interactions energy: -1999.643 where: short stacking energy: -801.484 Base-Backbone interact. energy: -4.355 local terms energy: -801.929211 where: bonds (distance) C4'-P energy: -151.261 bonds (distance) P-C4' energy: -165.042 flat angles C4'-P-C4' energy: -160.769 flat angles P-C4'-P energy: -114.987 tors. eta vs tors. theta energy: -209.870 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: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2692.508043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.508043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.508043 (E_RNA) where: Base-Base interactions energy: -1926.396 where: short stacking energy: -822.538 Base-Backbone interact. energy: -3.099 local terms energy: -763.013036 where: bonds (distance) C4'-P energy: -129.349 bonds (distance) P-C4' energy: -132.760 flat angles C4'-P-C4' energy: -176.306 flat angles P-C4'-P energy: -100.094 tors. eta vs tors. theta energy: -224.504 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: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2578.971433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.971433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.971433 (E_RNA) where: Base-Base interactions energy: -1807.480 where: short stacking energy: -747.865 Base-Backbone interact. energy: -0.516 local terms energy: -770.975160 where: bonds (distance) C4'-P energy: -156.032 bonds (distance) P-C4' energy: -147.081 flat angles C4'-P-C4' energy: -173.206 flat angles P-C4'-P energy: -107.996 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: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2257.499538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.499538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.499538 (E_RNA) where: Base-Base interactions energy: -1533.933 where: short stacking energy: -692.364 Base-Backbone interact. energy: -3.044 local terms energy: -720.522626 where: bonds (distance) C4'-P energy: -144.049 bonds (distance) P-C4' energy: -134.797 flat angles C4'-P-C4' energy: -158.481 flat angles P-C4'-P energy: -118.167 tors. eta vs tors. theta energy: -165.029 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: 205 Temperature: 1.200000 Total energy: -2153.305344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.305344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.305344 (E_RNA) where: Base-Base interactions energy: -1498.934 where: short stacking energy: -664.059 Base-Backbone interact. energy: -3.223 local terms energy: -651.148591 where: bonds (distance) C4'-P energy: -118.919 bonds (distance) P-C4' energy: -141.073 flat angles C4'-P-C4' energy: -154.680 flat angles P-C4'-P energy: -84.928 tors. eta vs tors. theta energy: -151.549 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: 4 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1902.510538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.510538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.510538 (E_RNA) where: Base-Base interactions energy: -1310.179 where: short stacking energy: -571.538 Base-Backbone interact. energy: -0.494 local terms energy: -591.837804 where: bonds (distance) C4'-P energy: -106.301 bonds (distance) P-C4' energy: -134.700 flat angles C4'-P-C4' energy: -135.851 flat angles P-C4'-P energy: -86.592 tors. eta vs tors. theta energy: -128.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1779.159049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.159049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.159049 (E_RNA) where: Base-Base interactions energy: -1187.336 where: short stacking energy: -505.715 Base-Backbone interact. energy: -0.701 local terms energy: -591.121188 where: bonds (distance) C4'-P energy: -135.938 bonds (distance) P-C4' energy: -129.175 flat angles C4'-P-C4' energy: -132.179 flat angles P-C4'-P energy: -98.137 tors. eta vs tors. theta energy: -95.693 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: 6 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1509.423856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.423856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.423856 (E_RNA) where: Base-Base interactions energy: -997.355 where: short stacking energy: -458.762 Base-Backbone interact. energy: -3.908 local terms energy: -508.160649 where: bonds (distance) C4'-P energy: -121.581 bonds (distance) P-C4' energy: -119.193 flat angles C4'-P-C4' energy: -118.364 flat angles P-C4'-P energy: -71.553 tors. eta vs tors. theta energy: -77.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2987.275295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.275295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.275295 (E_RNA) where: Base-Base interactions energy: -2117.126 where: short stacking energy: -897.606 Base-Backbone interact. energy: 0.915 local terms energy: -871.064221 where: bonds (distance) C4'-P energy: -157.415 bonds (distance) P-C4' energy: -157.609 flat angles C4'-P-C4' energy: -186.610 flat angles P-C4'-P energy: -123.524 tors. eta vs tors. theta energy: -245.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2912.703697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.703697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.703697 (E_RNA) where: Base-Base interactions energy: -2085.487 where: short stacking energy: -884.581 Base-Backbone interact. energy: -0.073 local terms energy: -827.143843 where: bonds (distance) C4'-P energy: -151.240 bonds (distance) P-C4' energy: -150.528 flat angles C4'-P-C4' energy: -175.566 flat angles P-C4'-P energy: -130.374 tors. eta vs tors. theta energy: -219.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2817.836925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.836925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.836925 (E_RNA) where: Base-Base interactions energy: -2015.267 where: short stacking energy: -812.952 Base-Backbone interact. energy: -6.421 local terms energy: -796.148598 where: bonds (distance) C4'-P energy: -141.333 bonds (distance) P-C4' energy: -162.721 flat angles C4'-P-C4' energy: -172.979 flat angles P-C4'-P energy: -122.660 tors. eta vs tors. theta energy: -196.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2736.790805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.790805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.790805 (E_RNA) where: Base-Base interactions energy: -1911.431 where: short stacking energy: -828.338 Base-Backbone interact. energy: -0.687 local terms energy: -824.672896 where: bonds (distance) C4'-P energy: -148.849 bonds (distance) P-C4' energy: -136.944 flat angles C4'-P-C4' energy: -186.653 flat angles P-C4'-P energy: -122.231 tors. eta vs tors. theta energy: -229.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2597.782965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.782965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.782965 (E_RNA) where: Base-Base interactions energy: -1800.924 where: short stacking energy: -761.480 Base-Backbone interact. energy: -5.768 local terms energy: -791.090700 where: bonds (distance) C4'-P energy: -145.151 bonds (distance) P-C4' energy: -157.034 flat angles C4'-P-C4' energy: -165.404 flat angles P-C4'-P energy: -117.680 tors. eta vs tors. theta energy: -205.822 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: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2298.655249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.655249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.655249 (E_RNA) where: Base-Base interactions energy: -1578.080 where: short stacking energy: -674.199 Base-Backbone interact. energy: -1.546 local terms energy: -719.029228 where: bonds (distance) C4'-P energy: -152.827 bonds (distance) P-C4' energy: -141.458 flat angles C4'-P-C4' energy: -161.502 flat angles P-C4'-P energy: -97.773 tors. eta vs tors. theta energy: -165.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -2195.547365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.547365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.547365 (E_RNA) where: Base-Base interactions energy: -1494.425 where: short stacking energy: -648.163 Base-Backbone interact. energy: 2.490 local terms energy: -703.612048 where: bonds (distance) C4'-P energy: -125.277 bonds (distance) P-C4' energy: -163.890 flat angles C4'-P-C4' energy: -151.583 flat angles P-C4'-P energy: -111.011 tors. eta vs tors. theta energy: -151.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1965.995848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.995848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.995848 (E_RNA) where: Base-Base interactions energy: -1345.147 where: short stacking energy: -612.574 Base-Backbone interact. energy: -3.432 local terms energy: -617.416741 where: bonds (distance) C4'-P energy: -125.609 bonds (distance) P-C4' energy: -122.989 flat angles C4'-P-C4' energy: -139.970 flat angles P-C4'-P energy: -85.811 tors. eta vs tors. theta energy: -143.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1823.641709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.641709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.641709 (E_RNA) where: Base-Base interactions energy: -1241.622 where: short stacking energy: -523.751 Base-Backbone interact. energy: -0.752 local terms energy: -581.268007 where: bonds (distance) C4'-P energy: -148.288 bonds (distance) P-C4' energy: -129.314 flat angles C4'-P-C4' energy: -125.798 flat angles P-C4'-P energy: -90.795 tors. eta vs tors. theta energy: -87.074 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: 6 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1580.095580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.095580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.095580 (E_RNA) where: Base-Base interactions energy: -1029.874 where: short stacking energy: -478.796 Base-Backbone interact. energy: 3.814 local terms energy: -554.036316 where: bonds (distance) C4'-P energy: -102.954 bonds (distance) P-C4' energy: -137.011 flat angles C4'-P-C4' energy: -137.604 flat angles P-C4'-P energy: -85.948 tors. eta vs tors. theta energy: -90.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2991.679914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.679914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.679914 (E_RNA) where: Base-Base interactions energy: -2105.532 where: short stacking energy: -888.065 Base-Backbone interact. energy: -0.388 local terms energy: -885.759352 where: bonds (distance) C4'-P energy: -176.936 bonds (distance) P-C4' energy: -160.993 flat angles C4'-P-C4' energy: -175.992 flat angles P-C4'-P energy: -130.757 tors. eta vs tors. theta energy: -241.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2888.709298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.709298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.709298 (E_RNA) where: Base-Base interactions energy: -2078.273 where: short stacking energy: -828.577 Base-Backbone interact. energy: -4.037 local terms energy: -806.400084 where: bonds (distance) C4'-P energy: -144.613 bonds (distance) P-C4' energy: -161.015 flat angles C4'-P-C4' energy: -183.186 flat angles P-C4'-P energy: -115.888 tors. eta vs tors. theta energy: -201.698 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: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2861.594157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.594157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.594157 (E_RNA) where: Base-Base interactions energy: -2072.878 where: short stacking energy: -855.152 Base-Backbone interact. energy: -4.020 local terms energy: -784.696386 where: bonds (distance) C4'-P energy: -135.073 bonds (distance) P-C4' energy: -153.748 flat angles C4'-P-C4' energy: -160.260 flat angles P-C4'-P energy: -120.207 tors. eta vs tors. theta energy: -215.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2733.754697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.754697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.754697 (E_RNA) where: Base-Base interactions energy: -1937.935 where: short stacking energy: -826.334 Base-Backbone interact. energy: 10.353 local terms energy: -806.172926 where: bonds (distance) C4'-P energy: -135.074 bonds (distance) P-C4' energy: -150.242 flat angles C4'-P-C4' energy: -163.570 flat angles P-C4'-P energy: -118.849 tors. eta vs tors. theta energy: -238.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2561.212462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.212462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.212462 (E_RNA) where: Base-Base interactions energy: -1810.235 where: short stacking energy: -764.381 Base-Backbone interact. energy: -1.520 local terms energy: -749.456794 where: bonds (distance) C4'-P energy: -142.095 bonds (distance) P-C4' energy: -142.987 flat angles C4'-P-C4' energy: -169.033 flat angles P-C4'-P energy: -98.606 tors. eta vs tors. theta energy: -196.736 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: 6, replica: 2 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2307.459231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.459231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.459231 (E_RNA) where: Base-Base interactions energy: -1601.271 where: short stacking energy: -671.682 Base-Backbone interact. energy: 8.842 local terms energy: -715.030154 where: bonds (distance) C4'-P energy: -130.616 bonds (distance) P-C4' energy: -153.149 flat angles C4'-P-C4' energy: -162.025 flat angles P-C4'-P energy: -118.450 tors. eta vs tors. theta energy: -150.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -2123.689709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.689709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.689709 (E_RNA) where: Base-Base interactions energy: -1467.631 where: short stacking energy: -614.005 Base-Backbone interact. energy: 0.324 local terms energy: -656.383109 where: bonds (distance) C4'-P energy: -123.462 bonds (distance) P-C4' energy: -133.849 flat angles C4'-P-C4' energy: -148.794 flat angles P-C4'-P energy: -97.705 tors. eta vs tors. theta energy: -152.573 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: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1937.421663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.421663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.421663 (E_RNA) where: Base-Base interactions energy: -1334.355 where: short stacking energy: -605.571 Base-Backbone interact. energy: -0.113 local terms energy: -602.954169 where: bonds (distance) C4'-P energy: -127.895 bonds (distance) P-C4' energy: -119.773 flat angles C4'-P-C4' energy: -128.060 flat angles P-C4'-P energy: -80.473 tors. eta vs tors. theta energy: -146.753 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: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1812.953198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.953198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.953198 (E_RNA) where: Base-Base interactions energy: -1230.768 where: short stacking energy: -543.070 Base-Backbone interact. energy: -4.686 local terms energy: -577.498965 where: bonds (distance) C4'-P energy: -115.875 bonds (distance) P-C4' energy: -125.976 flat angles C4'-P-C4' energy: -144.974 flat angles P-C4'-P energy: -85.015 tors. eta vs tors. theta energy: -105.659 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: 207 Temperature: 1.350000 Total energy: -1473.718724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.718724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.718724 (E_RNA) where: Base-Base interactions energy: -934.065 where: short stacking energy: -427.484 Base-Backbone interact. energy: 1.736 local terms energy: -541.389785 where: bonds (distance) C4'-P energy: -127.375 bonds (distance) P-C4' energy: -136.545 flat angles C4'-P-C4' energy: -118.780 flat angles P-C4'-P energy: -98.432 tors. eta vs tors. theta energy: -60.258 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: 7 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2990.903961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.903961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.903961 (E_RNA) where: Base-Base interactions energy: -2124.241 where: short stacking energy: -895.644 Base-Backbone interact. energy: -4.704 local terms energy: -861.959311 where: bonds (distance) C4'-P energy: -165.963 bonds (distance) P-C4' energy: -156.701 flat angles C4'-P-C4' energy: -186.560 flat angles P-C4'-P energy: -125.184 tors. eta vs tors. theta energy: -227.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2869.258636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.258636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.258636 (E_RNA) where: Base-Base interactions energy: -2060.267 where: short stacking energy: -816.216 Base-Backbone interact. energy: -1.089 local terms energy: -807.902450 where: bonds (distance) C4'-P energy: -156.125 bonds (distance) P-C4' energy: -160.192 flat angles C4'-P-C4' energy: -164.305 flat angles P-C4'-P energy: -115.752 tors. eta vs tors. theta energy: -211.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2823.457539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.457539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.457539 (E_RNA) where: Base-Base interactions energy: -2027.390 where: short stacking energy: -826.000 Base-Backbone interact. energy: -1.648 local terms energy: -794.419806 where: bonds (distance) C4'-P energy: -136.474 bonds (distance) P-C4' energy: -150.894 flat angles C4'-P-C4' energy: -185.801 flat angles P-C4'-P energy: -110.724 tors. eta vs tors. theta energy: -210.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2803.831823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.831823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.831823 (E_RNA) where: Base-Base interactions energy: -2005.164 where: short stacking energy: -883.313 Base-Backbone interact. energy: -1.549 local terms energy: -797.119496 where: bonds (distance) C4'-P energy: -134.019 bonds (distance) P-C4' energy: -141.120 flat angles C4'-P-C4' energy: -184.259 flat angles P-C4'-P energy: -96.729 tors. eta vs tors. theta energy: -240.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2535.922800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.922800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.922800 (E_RNA) where: Base-Base interactions energy: -1816.092 where: short stacking energy: -762.443 Base-Backbone interact. energy: -2.892 local terms energy: -716.939071 where: bonds (distance) C4'-P energy: -121.438 bonds (distance) P-C4' energy: -135.842 flat angles C4'-P-C4' energy: -157.952 flat angles P-C4'-P energy: -98.999 tors. eta vs tors. theta energy: -202.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2356.443996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.443996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.443996 (E_RNA) where: Base-Base interactions energy: -1674.880 where: short stacking energy: -696.497 Base-Backbone interact. energy: -1.204 local terms energy: -680.360642 where: bonds (distance) C4'-P energy: -131.946 bonds (distance) P-C4' energy: -133.731 flat angles C4'-P-C4' energy: -149.493 flat angles P-C4'-P energy: -100.107 tors. eta vs tors. theta energy: -165.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -2129.835981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.835981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.835981 (E_RNA) where: Base-Base interactions energy: -1460.999 where: short stacking energy: -659.065 Base-Backbone interact. energy: -3.006 local terms energy: -665.830641 where: bonds (distance) C4'-P energy: -129.565 bonds (distance) P-C4' energy: -134.826 flat angles C4'-P-C4' energy: -162.622 flat angles P-C4'-P energy: -92.491 tors. eta vs tors. theta energy: -146.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1928.249495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.249495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.249495 (E_RNA) where: Base-Base interactions energy: -1315.649 where: short stacking energy: -569.697 Base-Backbone interact. energy: -0.039 local terms energy: -612.560938 where: bonds (distance) C4'-P energy: -125.293 bonds (distance) P-C4' energy: -137.742 flat angles C4'-P-C4' energy: -135.314 flat angles P-C4'-P energy: -74.510 tors. eta vs tors. theta energy: -139.703 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: 9, replica: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1736.111227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.111227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.111227 (E_RNA) where: Base-Base interactions energy: -1186.892 where: short stacking energy: -542.160 Base-Backbone interact. energy: -0.214 local terms energy: -549.004782 where: bonds (distance) C4'-P energy: -132.175 bonds (distance) P-C4' energy: -109.938 flat angles C4'-P-C4' energy: -126.725 flat angles P-C4'-P energy: -77.264 tors. eta vs tors. theta energy: -102.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1428.910498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.910498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.910498 (E_RNA) where: Base-Base interactions energy: -931.605 where: short stacking energy: -400.085 Base-Backbone interact. energy: -0.649 local terms energy: -496.656474 where: bonds (distance) C4'-P energy: -141.154 bonds (distance) P-C4' energy: -112.302 flat angles C4'-P-C4' energy: -125.010 flat angles P-C4'-P energy: -56.022 tors. eta vs tors. theta energy: -62.169 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: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2999.145630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.145630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.145630 (E_RNA) where: Base-Base interactions energy: -2116.258 where: short stacking energy: -894.522 Base-Backbone interact. energy: -3.478 local terms energy: -879.408807 where: bonds (distance) C4'-P energy: -157.111 bonds (distance) P-C4' energy: -159.001 flat angles C4'-P-C4' energy: -187.246 flat angles P-C4'-P energy: -138.695 tors. eta vs tors. theta energy: -237.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2889.644602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.644602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.644602 (E_RNA) where: Base-Base interactions energy: -2058.300 where: short stacking energy: -850.010 Base-Backbone interact. energy: -3.668 local terms energy: -827.677486 where: bonds (distance) C4'-P energy: -146.283 bonds (distance) P-C4' energy: -159.391 flat angles C4'-P-C4' energy: -175.983 flat angles P-C4'-P energy: -134.682 tors. eta vs tors. theta energy: -211.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2777.298287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.298287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.298287 (E_RNA) where: Base-Base interactions energy: -2021.737 where: short stacking energy: -809.166 Base-Backbone interact. energy: -2.285 local terms energy: -753.275870 where: bonds (distance) C4'-P energy: -127.416 bonds (distance) P-C4' energy: -149.687 flat angles C4'-P-C4' energy: -158.390 flat angles P-C4'-P energy: -116.966 tors. eta vs tors. theta energy: -200.817 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: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2759.055690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.055690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.055690 (E_RNA) where: Base-Base interactions energy: -1918.107 where: short stacking energy: -821.852 Base-Backbone interact. energy: -2.011 local terms energy: -838.937890 where: bonds (distance) C4'-P energy: -154.896 bonds (distance) P-C4' energy: -158.789 flat angles C4'-P-C4' energy: -177.547 flat angles P-C4'-P energy: -109.951 tors. eta vs tors. theta energy: -237.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2573.137654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.137654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.137654 (E_RNA) where: Base-Base interactions energy: -1835.407 where: short stacking energy: -766.192 Base-Backbone interact. energy: -2.653 local terms energy: -735.077952 where: bonds (distance) C4'-P energy: -115.231 bonds (distance) P-C4' energy: -145.260 flat angles C4'-P-C4' energy: -164.457 flat angles P-C4'-P energy: -110.723 tors. eta vs tors. theta energy: -199.408 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: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2268.145479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.145479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.145479 (E_RNA) where: Base-Base interactions energy: -1597.474 where: short stacking energy: -704.913 Base-Backbone interact. energy: -2.671 local terms energy: -668.000299 where: bonds (distance) C4'-P energy: -124.810 bonds (distance) P-C4' energy: -142.813 flat angles C4'-P-C4' energy: -165.809 flat angles P-C4'-P energy: -74.511 tors. eta vs tors. theta energy: -160.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -2110.297434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.297434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.297434 (E_RNA) where: Base-Base interactions energy: -1448.224 where: short stacking energy: -644.769 Base-Backbone interact. energy: -3.683 local terms energy: -658.390573 where: bonds (distance) C4'-P energy: -133.172 bonds (distance) P-C4' energy: -109.549 flat angles C4'-P-C4' energy: -159.297 flat angles P-C4'-P energy: -110.258 tors. eta vs tors. theta energy: -146.114 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: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1963.848043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.848043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.848043 (E_RNA) where: Base-Base interactions energy: -1321.798 where: short stacking energy: -610.568 Base-Backbone interact. energy: 3.284 local terms energy: -645.333565 where: bonds (distance) C4'-P energy: -138.563 bonds (distance) P-C4' energy: -135.053 flat angles C4'-P-C4' energy: -141.901 flat angles P-C4'-P energy: -88.789 tors. eta vs tors. theta energy: -141.027 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: 9, replica: 5 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1611.843620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.843620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.843620 (E_RNA) where: Base-Base interactions energy: -1070.412 where: short stacking energy: -482.542 Base-Backbone interact. energy: 1.101 local terms energy: -542.532122 where: bonds (distance) C4'-P energy: -133.337 bonds (distance) P-C4' energy: -128.219 flat angles C4'-P-C4' energy: -111.993 flat angles P-C4'-P energy: -79.676 tors. eta vs tors. theta energy: -89.307 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: 6 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1448.554101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.554101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.554101 (E_RNA) where: Base-Base interactions energy: -926.624 where: short stacking energy: -428.316 Base-Backbone interact. energy: -0.660 local terms energy: -521.269188 where: bonds (distance) C4'-P energy: -116.430 bonds (distance) P-C4' energy: -130.323 flat angles C4'-P-C4' energy: -138.083 flat angles P-C4'-P energy: -85.157 tors. eta vs tors. theta energy: -51.275 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: 210 Temperature: 0.900000 Total energy: -2984.023692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.023692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.023692 (E_RNA) where: Base-Base interactions energy: -2108.621 where: short stacking energy: -904.173 Base-Backbone interact. energy: -1.078 local terms energy: -874.324619 where: bonds (distance) C4'-P energy: -160.009 bonds (distance) P-C4' energy: -164.232 flat angles C4'-P-C4' energy: -185.275 flat angles P-C4'-P energy: -126.344 tors. eta vs tors. theta energy: -238.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2936.998505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.998505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.998505 (E_RNA) where: Base-Base interactions energy: -2130.678 where: short stacking energy: -885.128 Base-Backbone interact. energy: -6.946 local terms energy: -799.374186 where: bonds (distance) C4'-P energy: -150.024 bonds (distance) P-C4' energy: -164.852 flat angles C4'-P-C4' energy: -169.753 flat angles P-C4'-P energy: -95.807 tors. eta vs tors. theta energy: -218.938 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: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2823.918295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.918295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.918295 (E_RNA) where: Base-Base interactions energy: -1997.334 where: short stacking energy: -847.073 Base-Backbone interact. energy: -3.958 local terms energy: -822.625885 where: bonds (distance) C4'-P energy: -149.878 bonds (distance) P-C4' energy: -155.972 flat angles C4'-P-C4' energy: -175.171 flat angles P-C4'-P energy: -102.250 tors. eta vs tors. theta energy: -239.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2752.633488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.633488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.633488 (E_RNA) where: Base-Base interactions energy: -1953.054 where: short stacking energy: -777.438 Base-Backbone interact. energy: -3.805 local terms energy: -795.774511 where: bonds (distance) C4'-P energy: -164.472 bonds (distance) P-C4' energy: -160.559 flat angles C4'-P-C4' energy: -181.138 flat angles P-C4'-P energy: -108.251 tors. eta vs tors. theta energy: -181.355 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: 3 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2541.674253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.674253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.674253 (E_RNA) where: Base-Base interactions energy: -1791.818 where: short stacking energy: -766.056 Base-Backbone interact. energy: -1.763 local terms energy: -748.092916 where: bonds (distance) C4'-P energy: -138.543 bonds (distance) P-C4' energy: -144.277 flat angles C4'-P-C4' energy: -165.209 flat angles P-C4'-P energy: -100.225 tors. eta vs tors. theta energy: -199.840 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: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2371.179722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.179722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.179722 (E_RNA) where: Base-Base interactions energy: -1695.283 where: short stacking energy: -709.433 Base-Backbone interact. energy: -0.504 local terms energy: -675.392372 where: bonds (distance) C4'-P energy: -127.370 bonds (distance) P-C4' energy: -139.771 flat angles C4'-P-C4' energy: -158.446 flat angles P-C4'-P energy: -85.931 tors. eta vs tors. theta energy: -163.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -2177.349873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.349873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.349873 (E_RNA) where: Base-Base interactions energy: -1518.673 where: short stacking energy: -679.446 Base-Backbone interact. energy: 1.754 local terms energy: -660.431266 where: bonds (distance) C4'-P energy: -113.205 bonds (distance) P-C4' energy: -149.429 flat angles C4'-P-C4' energy: -142.300 flat angles P-C4'-P energy: -93.895 tors. eta vs tors. theta energy: -161.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1935.651182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.651182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.651182 (E_RNA) where: Base-Base interactions energy: -1310.313 where: short stacking energy: -589.861 Base-Backbone interact. energy: 0.132 local terms energy: -625.469910 where: bonds (distance) C4'-P energy: -130.151 bonds (distance) P-C4' energy: -125.547 flat angles C4'-P-C4' energy: -135.072 flat angles P-C4'-P energy: -104.750 tors. eta vs tors. theta energy: -129.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1571.813982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.813982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.813982 (E_RNA) where: Base-Base interactions energy: -1051.073 where: short stacking energy: -462.129 Base-Backbone interact. energy: 3.962 local terms energy: -524.703332 where: bonds (distance) C4'-P energy: -126.528 bonds (distance) P-C4' energy: -121.999 flat angles C4'-P-C4' energy: -125.026 flat angles P-C4'-P energy: -89.710 tors. eta vs tors. theta energy: -61.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1410.652893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.652893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.652893 (E_RNA) where: Base-Base interactions energy: -876.699 where: short stacking energy: -430.733 Base-Backbone interact. energy: -4.157 local terms energy: -529.797061 where: bonds (distance) C4'-P energy: -124.896 bonds (distance) P-C4' energy: -107.804 flat angles C4'-P-C4' energy: -122.912 flat angles P-C4'-P energy: -87.876 tors. eta vs tors. theta energy: -86.309 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: 7 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3011.844590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.844590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.844590 (E_RNA) where: Base-Base interactions energy: -2146.933 where: short stacking energy: -932.816 Base-Backbone interact. energy: 3.379 local terms energy: -868.290569 where: bonds (distance) C4'-P energy: -155.416 bonds (distance) P-C4' energy: -163.804 flat angles C4'-P-C4' energy: -183.265 flat angles P-C4'-P energy: -127.075 tors. eta vs tors. theta energy: -238.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2930.630863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.630863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.630863 (E_RNA) where: Base-Base interactions energy: -2059.864 where: short stacking energy: -859.350 Base-Backbone interact. energy: -5.292 local terms energy: -865.475515 where: bonds (distance) C4'-P energy: -155.986 bonds (distance) P-C4' energy: -165.822 flat angles C4'-P-C4' energy: -187.071 flat angles P-C4'-P energy: -130.056 tors. eta vs tors. theta energy: -226.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2848.589770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.589770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.589770 (E_RNA) where: Base-Base interactions energy: -1994.479 where: short stacking energy: -856.822 Base-Backbone interact. energy: -7.253 local terms energy: -846.858120 where: bonds (distance) C4'-P energy: -141.604 bonds (distance) P-C4' energy: -158.882 flat angles C4'-P-C4' energy: -175.267 flat angles P-C4'-P energy: -120.569 tors. eta vs tors. theta energy: -250.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2746.331327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.331327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.331327 (E_RNA) where: Base-Base interactions energy: -1994.118 where: short stacking energy: -810.086 Base-Backbone interact. energy: -2.206 local terms energy: -750.007319 where: bonds (distance) C4'-P energy: -132.302 bonds (distance) P-C4' energy: -135.829 flat angles C4'-P-C4' energy: -164.023 flat angles P-C4'-P energy: -124.713 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: 5, replica: 3 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2566.521559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.521559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.521559 (E_RNA) where: Base-Base interactions energy: -1802.718 where: short stacking energy: -749.046 Base-Backbone interact. energy: -4.757 local terms energy: -759.046035 where: bonds (distance) C4'-P energy: -134.631 bonds (distance) P-C4' energy: -146.948 flat angles C4'-P-C4' energy: -167.526 flat angles P-C4'-P energy: -112.291 tors. eta vs tors. theta energy: -197.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2369.057909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.057909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.057909 (E_RNA) where: Base-Base interactions energy: -1696.573 where: short stacking energy: -699.227 Base-Backbone interact. energy: 5.670 local terms energy: -678.155107 where: bonds (distance) C4'-P energy: -123.260 bonds (distance) P-C4' energy: -152.622 flat angles C4'-P-C4' energy: -144.960 flat angles P-C4'-P energy: -88.566 tors. eta vs tors. theta energy: -168.747 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: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -2141.985221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.985221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.985221 (E_RNA) where: Base-Base interactions energy: -1476.717 where: short stacking energy: -642.728 Base-Backbone interact. energy: -1.655 local terms energy: -663.613390 where: bonds (distance) C4'-P energy: -143.762 bonds (distance) P-C4' energy: -130.288 flat angles C4'-P-C4' energy: -152.618 flat angles P-C4'-P energy: -86.624 tors. eta vs tors. theta energy: -150.322 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: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -2005.941775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.941775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.941775 (E_RNA) where: Base-Base interactions energy: -1399.584 where: short stacking energy: -602.170 Base-Backbone interact. energy: -2.757 local terms energy: -603.601643 where: bonds (distance) C4'-P energy: -134.298 bonds (distance) P-C4' energy: -100.335 flat angles C4'-P-C4' energy: -149.985 flat angles P-C4'-P energy: -86.026 tors. eta vs tors. theta energy: -132.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1508.940572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.940572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.940572 (E_RNA) where: Base-Base interactions energy: -967.192 where: short stacking energy: -434.515 Base-Backbone interact. energy: -3.391 local terms energy: -538.358178 where: bonds (distance) C4'-P energy: -128.255 bonds (distance) P-C4' energy: -138.758 flat angles C4'-P-C4' energy: -136.528 flat angles P-C4'-P energy: -66.939 tors. eta vs tors. theta energy: -67.877 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: 211 Temperature: 1.350000 Total energy: -1503.842575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.842575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.842575 (E_RNA) where: Base-Base interactions energy: -1007.486 where: short stacking energy: -465.710 Base-Backbone interact. energy: -2.046 local terms energy: -494.309822 where: bonds (distance) C4'-P energy: -109.158 bonds (distance) P-C4' energy: -122.286 flat angles C4'-P-C4' energy: -121.870 flat angles P-C4'-P energy: -53.028 tors. eta vs tors. theta energy: -87.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3002.788922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.788922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.788922 (E_RNA) where: Base-Base interactions energy: -2121.742 where: short stacking energy: -904.453 Base-Backbone interact. energy: 0.290 local terms energy: -881.337248 where: bonds (distance) C4'-P energy: -154.890 bonds (distance) P-C4' energy: -176.408 flat angles C4'-P-C4' energy: -193.640 flat angles P-C4'-P energy: -124.576 tors. eta vs tors. theta energy: -231.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2926.180672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.180672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.180672 (E_RNA) where: Base-Base interactions energy: -2088.923 where: short stacking energy: -852.268 Base-Backbone interact. energy: -6.109 local terms energy: -831.148994 where: bonds (distance) C4'-P energy: -155.183 bonds (distance) P-C4' energy: -148.306 flat angles C4'-P-C4' energy: -183.983 flat angles P-C4'-P energy: -119.553 tors. eta vs tors. theta energy: -224.123 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: 3, replica: 1 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2861.914474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.914474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.914474 (E_RNA) where: Base-Base interactions energy: -2006.751 where: short stacking energy: -866.393 Base-Backbone interact. energy: -3.465 local terms energy: -851.699316 where: bonds (distance) C4'-P energy: -152.977 bonds (distance) P-C4' energy: -155.279 flat angles C4'-P-C4' energy: -173.100 flat angles P-C4'-P energy: -127.033 tors. eta vs tors. theta energy: -243.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2717.158723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.158723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.158723 (E_RNA) where: Base-Base interactions energy: -1963.248 where: short stacking energy: -771.926 Base-Backbone interact. energy: -2.543 local terms energy: -751.367815 where: bonds (distance) C4'-P energy: -142.763 bonds (distance) P-C4' energy: -144.491 flat angles C4'-P-C4' energy: -170.939 flat angles P-C4'-P energy: -111.341 tors. eta vs tors. theta energy: -181.834 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: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2597.756575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.756575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.756575 (E_RNA) where: Base-Base interactions energy: -1811.240 where: short stacking energy: -780.213 Base-Backbone interact. energy: -2.724 local terms energy: -783.792340 where: bonds (distance) C4'-P energy: -135.280 bonds (distance) P-C4' energy: -146.071 flat angles C4'-P-C4' energy: -166.470 flat angles P-C4'-P energy: -125.478 tors. eta vs tors. theta energy: -210.493 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: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2313.822458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.822458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.822458 (E_RNA) where: Base-Base interactions energy: -1638.326 where: short stacking energy: -692.924 Base-Backbone interact. energy: 1.941 local terms energy: -677.437546 where: bonds (distance) C4'-P energy: -104.458 bonds (distance) P-C4' energy: -143.869 flat angles C4'-P-C4' energy: -164.908 flat angles P-C4'-P energy: -96.223 tors. eta vs tors. theta energy: -167.979 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: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -2166.811191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.811191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.811191 (E_RNA) where: Base-Base interactions energy: -1495.565 where: short stacking energy: -664.046 Base-Backbone interact. energy: -5.046 local terms energy: -666.200145 where: bonds (distance) C4'-P energy: -120.567 bonds (distance) P-C4' energy: -148.719 flat angles C4'-P-C4' energy: -141.489 flat angles P-C4'-P energy: -99.621 tors. eta vs tors. theta energy: -155.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1985.806576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.806576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.806576 (E_RNA) where: Base-Base interactions energy: -1366.011 where: short stacking energy: -589.977 Base-Backbone interact. energy: -3.178 local terms energy: -616.617298 where: bonds (distance) C4'-P energy: -117.016 bonds (distance) P-C4' energy: -135.723 flat angles C4'-P-C4' energy: -145.884 flat angles P-C4'-P energy: -74.691 tors. eta vs tors. theta energy: -143.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1577.491481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.491481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.491481 (E_RNA) where: Base-Base interactions energy: -1008.900 where: short stacking energy: -444.332 Base-Backbone interact. energy: 0.001 local terms energy: -568.592939 where: bonds (distance) C4'-P energy: -123.398 bonds (distance) P-C4' energy: -139.875 flat angles C4'-P-C4' energy: -132.324 flat angles P-C4'-P energy: -102.133 tors. eta vs tors. theta energy: -70.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1406.833250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.833250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.833250 (E_RNA) where: Base-Base interactions energy: -908.838 where: short stacking energy: -414.664 Base-Backbone interact. energy: 1.649 local terms energy: -499.644124 where: bonds (distance) C4'-P energy: -132.975 bonds (distance) P-C4' energy: -140.174 flat angles C4'-P-C4' energy: -121.048 flat angles P-C4'-P energy: -55.568 tors. eta vs tors. theta energy: -49.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2994.434631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.434631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.434631 (E_RNA) where: Base-Base interactions energy: -2110.545 where: short stacking energy: -920.646 Base-Backbone interact. energy: -2.323 local terms energy: -881.565987 where: bonds (distance) C4'-P energy: -156.329 bonds (distance) P-C4' energy: -156.312 flat angles C4'-P-C4' energy: -188.351 flat angles P-C4'-P energy: -130.161 tors. eta vs tors. theta energy: -250.413 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: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2928.469440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.469440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.469440 (E_RNA) where: Base-Base interactions energy: -2125.259 where: short stacking energy: -848.923 Base-Backbone interact. energy: -2.126 local terms energy: -801.084648 where: bonds (distance) C4'-P energy: -138.502 bonds (distance) P-C4' energy: -155.220 flat angles C4'-P-C4' energy: -181.855 flat angles P-C4'-P energy: -113.692 tors. eta vs tors. theta energy: -211.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2882.395862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.395862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.395862 (E_RNA) where: Base-Base interactions energy: -2012.685 where: short stacking energy: -863.417 Base-Backbone interact. energy: -3.374 local terms energy: -866.336907 where: bonds (distance) C4'-P energy: -157.713 bonds (distance) P-C4' energy: -164.026 flat angles C4'-P-C4' energy: -179.025 flat angles P-C4'-P energy: -119.723 tors. eta vs tors. theta energy: -245.851 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: 4, replica: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2731.457043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.457043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.457043 (E_RNA) where: Base-Base interactions energy: -1967.228 where: short stacking energy: -782.821 Base-Backbone interact. energy: -3.186 local terms energy: -761.042505 where: bonds (distance) C4'-P energy: -142.841 bonds (distance) P-C4' energy: -163.380 flat angles C4'-P-C4' energy: -169.940 flat angles P-C4'-P energy: -105.309 tors. eta vs tors. theta energy: -179.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2593.172080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.172080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.172080 (E_RNA) where: Base-Base interactions energy: -1796.177 where: short stacking energy: -778.253 Base-Backbone interact. energy: -3.865 local terms energy: -793.130097 where: bonds (distance) C4'-P energy: -142.368 bonds (distance) P-C4' energy: -156.133 flat angles C4'-P-C4' energy: -172.100 flat angles P-C4'-P energy: -105.644 tors. eta vs tors. theta energy: -216.885 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: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2315.511870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.511870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.511870 (E_RNA) where: Base-Base interactions energy: -1609.266 where: short stacking energy: -705.482 Base-Backbone interact. energy: -1.402 local terms energy: -704.843280 where: bonds (distance) C4'-P energy: -127.444 bonds (distance) P-C4' energy: -162.485 flat angles C4'-P-C4' energy: -149.389 flat angles P-C4'-P energy: -100.373 tors. eta vs tors. theta energy: -165.152 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: 9 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -2126.411504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.411504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.411504 (E_RNA) where: Base-Base interactions energy: -1484.913 where: short stacking energy: -643.696 Base-Backbone interact. energy: -3.119 local terms energy: -638.379799 where: bonds (distance) C4'-P energy: -124.256 bonds (distance) P-C4' energy: -145.201 flat angles C4'-P-C4' energy: -143.672 flat angles P-C4'-P energy: -90.887 tors. eta vs tors. theta energy: -134.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -2006.459784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.459784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.459784 (E_RNA) where: Base-Base interactions energy: -1374.823 where: short stacking energy: -622.793 Base-Backbone interact. energy: -0.668 local terms energy: -630.968871 where: bonds (distance) C4'-P energy: -120.485 bonds (distance) P-C4' energy: -116.056 flat angles C4'-P-C4' energy: -135.325 flat angles P-C4'-P energy: -99.401 tors. eta vs tors. theta energy: -159.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1576.670226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.670226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.670226 (E_RNA) where: Base-Base interactions energy: -1042.204 where: short stacking energy: -458.091 Base-Backbone interact. energy: -4.656 local terms energy: -529.810758 where: bonds (distance) C4'-P energy: -113.690 bonds (distance) P-C4' energy: -143.418 flat angles C4'-P-C4' energy: -135.291 flat angles P-C4'-P energy: -56.270 tors. eta vs tors. theta energy: -81.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1401.062458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.062458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.062458 (E_RNA) where: Base-Base interactions energy: -881.493 where: short stacking energy: -402.309 Base-Backbone interact. energy: 3.506 local terms energy: -523.076019 where: bonds (distance) C4'-P energy: -132.305 bonds (distance) P-C4' energy: -142.634 flat angles C4'-P-C4' energy: -104.204 flat angles P-C4'-P energy: -80.891 tors. eta vs tors. theta energy: -63.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2973.987842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.987842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.987842 (E_RNA) where: Base-Base interactions energy: -2117.043 where: short stacking energy: -896.197 Base-Backbone interact. energy: -1.365 local terms energy: -855.579858 where: bonds (distance) C4'-P energy: -156.892 bonds (distance) P-C4' energy: -146.183 flat angles C4'-P-C4' energy: -185.785 flat angles P-C4'-P energy: -123.120 tors. eta vs tors. theta energy: -243.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2901.283682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.283682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.283682 (E_RNA) where: Base-Base interactions energy: -2094.665 where: short stacking energy: -857.352 Base-Backbone interact. energy: -3.185 local terms energy: -803.433896 where: bonds (distance) C4'-P energy: -138.756 bonds (distance) P-C4' energy: -157.465 flat angles C4'-P-C4' energy: -171.904 flat angles P-C4'-P energy: -123.129 tors. eta vs tors. theta energy: -212.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2824.198287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.198287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.198287 (E_RNA) where: Base-Base interactions energy: -1997.814 where: short stacking energy: -836.335 Base-Backbone interact. energy: -0.166 local terms energy: -826.217674 where: bonds (distance) C4'-P energy: -144.047 bonds (distance) P-C4' energy: -148.503 flat angles C4'-P-C4' energy: -181.145 flat angles P-C4'-P energy: -114.817 tors. eta vs tors. theta energy: -237.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2701.622896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.622896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.622896 (E_RNA) where: Base-Base interactions energy: -1944.552 where: short stacking energy: -780.404 Base-Backbone interact. energy: -5.296 local terms energy: -751.774823 where: bonds (distance) C4'-P energy: -149.023 bonds (distance) P-C4' energy: -141.314 flat angles C4'-P-C4' energy: -162.679 flat angles P-C4'-P energy: -98.869 tors. eta vs tors. theta energy: -199.890 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: 3 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2549.529032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.529032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.529032 (E_RNA) where: Base-Base interactions energy: -1791.894 where: short stacking energy: -783.142 Base-Backbone interact. energy: -3.305 local terms energy: -754.329703 where: bonds (distance) C4'-P energy: -140.032 bonds (distance) P-C4' energy: -133.427 flat angles C4'-P-C4' energy: -173.523 flat angles P-C4'-P energy: -99.807 tors. eta vs tors. theta energy: -207.540 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: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2350.295451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.295451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.295451 (E_RNA) where: Base-Base interactions energy: -1679.560 where: short stacking energy: -716.485 Base-Backbone interact. energy: -3.904 local terms energy: -666.831715 where: bonds (distance) C4'-P energy: -142.072 bonds (distance) P-C4' energy: -118.554 flat angles C4'-P-C4' energy: -146.787 flat angles P-C4'-P energy: -92.167 tors. eta vs tors. theta energy: -167.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -2151.314913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.314913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.314913 (E_RNA) where: Base-Base interactions energy: -1489.268 where: short stacking energy: -652.894 Base-Backbone interact. energy: -4.772 local terms energy: -657.275171 where: bonds (distance) C4'-P energy: -136.548 bonds (distance) P-C4' energy: -129.431 flat angles C4'-P-C4' energy: -164.343 flat angles P-C4'-P energy: -81.421 tors. eta vs tors. theta energy: -145.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1971.982360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.982360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.982360 (E_RNA) where: Base-Base interactions energy: -1307.753 where: short stacking energy: -579.616 Base-Backbone interact. energy: 0.779 local terms energy: -665.007769 where: bonds (distance) C4'-P energy: -140.994 bonds (distance) P-C4' energy: -142.001 flat angles C4'-P-C4' energy: -158.651 flat angles P-C4'-P energy: -87.401 tors. eta vs tors. theta energy: -135.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1580.839091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.839091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.839091 (E_RNA) where: Base-Base interactions energy: -1084.567 where: short stacking energy: -478.277 Base-Backbone interact. energy: 8.731 local terms energy: -505.002818 where: bonds (distance) C4'-P energy: -117.726 bonds (distance) P-C4' energy: -117.745 flat angles C4'-P-C4' energy: -123.231 flat angles P-C4'-P energy: -68.246 tors. eta vs tors. theta energy: -78.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -1461.090261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.090261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.090261 (E_RNA) where: Base-Base interactions energy: -950.398 where: short stacking energy: -426.997 Base-Backbone interact. energy: -2.272 local terms energy: -508.420859 where: bonds (distance) C4'-P energy: -118.636 bonds (distance) P-C4' energy: -125.869 flat angles C4'-P-C4' energy: -120.223 flat angles P-C4'-P energy: -69.405 tors. eta vs tors. theta energy: -74.288 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: 215 Temperature: 0.900000 Total energy: -3005.851769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.851769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.851769 (E_RNA) where: Base-Base interactions energy: -2149.992 where: short stacking energy: -890.739 Base-Backbone interact. energy: 3.288 local terms energy: -859.148601 where: bonds (distance) C4'-P energy: -154.554 bonds (distance) P-C4' energy: -165.201 flat angles C4'-P-C4' energy: -187.614 flat angles P-C4'-P energy: -117.392 tors. eta vs tors. theta energy: -234.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2889.408843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.408843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.408843 (E_RNA) where: Base-Base interactions energy: -2055.521 where: short stacking energy: -842.963 Base-Backbone interact. energy: -5.075 local terms energy: -828.812337 where: bonds (distance) C4'-P energy: -160.960 bonds (distance) P-C4' energy: -156.487 flat angles C4'-P-C4' energy: -185.788 flat angles P-C4'-P energy: -121.337 tors. eta vs tors. theta energy: -204.240 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: 215 Temperature: 1.000000 Total energy: -2818.790473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.790473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.790473 (E_RNA) where: Base-Base interactions energy: -2017.530 where: short stacking energy: -871.363 Base-Backbone interact. energy: -5.234 local terms energy: -796.025587 where: bonds (distance) C4'-P energy: -153.594 bonds (distance) P-C4' energy: -110.598 flat angles C4'-P-C4' energy: -175.648 flat angles P-C4'-P energy: -117.954 tors. eta vs tors. theta energy: -238.231 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: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2666.335537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.335537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.335537 (E_RNA) where: Base-Base interactions energy: -1925.014 where: short stacking energy: -769.232 Base-Backbone interact. energy: -4.141 local terms energy: -737.180293 where: bonds (distance) C4'-P energy: -142.137 bonds (distance) P-C4' energy: -136.601 flat angles C4'-P-C4' energy: -158.848 flat angles P-C4'-P energy: -108.482 tors. eta vs tors. theta energy: -191.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2561.440847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.440847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.440847 (E_RNA) where: Base-Base interactions energy: -1814.778 where: short stacking energy: -772.846 Base-Backbone interact. energy: -2.181 local terms energy: -744.482713 where: bonds (distance) C4'-P energy: -127.163 bonds (distance) P-C4' energy: -143.124 flat angles C4'-P-C4' energy: -165.650 flat angles P-C4'-P energy: -100.725 tors. eta vs tors. theta energy: -207.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2329.476212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.476212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.476212 (E_RNA) where: Base-Base interactions energy: -1678.973 where: short stacking energy: -701.445 Base-Backbone interact. energy: 2.585 local terms energy: -653.088363 where: bonds (distance) C4'-P energy: -123.596 bonds (distance) P-C4' energy: -133.964 flat angles C4'-P-C4' energy: -154.643 flat angles P-C4'-P energy: -76.165 tors. eta vs tors. theta energy: -164.719 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: 215 Temperature: 1.200000 Total energy: -2164.614288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.614288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.614288 (E_RNA) where: Base-Base interactions energy: -1491.130 where: short stacking energy: -645.310 Base-Backbone interact. energy: -2.170 local terms energy: -671.314617 where: bonds (distance) C4'-P energy: -120.013 bonds (distance) P-C4' energy: -150.719 flat angles C4'-P-C4' energy: -146.724 flat angles P-C4'-P energy: -94.773 tors. eta vs tors. theta energy: -159.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1966.954869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.954869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.954869 (E_RNA) where: Base-Base interactions energy: -1325.890 where: short stacking energy: -570.737 Base-Backbone interact. energy: -4.014 local terms energy: -637.051681 where: bonds (distance) C4'-P energy: -130.875 bonds (distance) P-C4' energy: -137.794 flat angles C4'-P-C4' energy: -153.027 flat angles P-C4'-P energy: -95.596 tors. eta vs tors. theta energy: -119.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1609.897314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.897314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.897314 (E_RNA) where: Base-Base interactions energy: -1095.334 where: short stacking energy: -478.097 Base-Backbone interact. energy: 4.461 local terms energy: -519.024279 where: bonds (distance) C4'-P energy: -127.967 bonds (distance) P-C4' energy: -116.327 flat angles C4'-P-C4' energy: -129.879 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -80.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1404.744549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.744549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.744549 (E_RNA) where: Base-Base interactions energy: -944.285 where: short stacking energy: -430.933 Base-Backbone interact. energy: -1.172 local terms energy: -459.287315 where: bonds (distance) C4'-P energy: -114.432 bonds (distance) P-C4' energy: -128.269 flat angles C4'-P-C4' energy: -107.121 flat angles P-C4'-P energy: -62.417 tors. eta vs tors. theta energy: -47.049 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: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3019.647390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.647390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.647390 (E_RNA) where: Base-Base interactions energy: -2142.790 where: short stacking energy: -911.779 Base-Backbone interact. energy: -4.054 local terms energy: -872.803556 where: bonds (distance) C4'-P energy: -164.490 bonds (distance) P-C4' energy: -162.305 flat angles C4'-P-C4' energy: -181.493 flat angles P-C4'-P energy: -125.612 tors. eta vs tors. theta energy: -238.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2897.796822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.796822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.796822 (E_RNA) where: Base-Base interactions energy: -2050.693 where: short stacking energy: -862.751 Base-Backbone interact. energy: -6.266 local terms energy: -840.837669 where: bonds (distance) C4'-P energy: -147.777 bonds (distance) P-C4' energy: -160.980 flat angles C4'-P-C4' energy: -180.975 flat angles P-C4'-P energy: -134.510 tors. eta vs tors. theta energy: -216.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2852.633098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.633098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.633098 (E_RNA) where: Base-Base interactions energy: -2023.395 where: short stacking energy: -851.269 Base-Backbone interact. energy: -3.316 local terms energy: -825.921852 where: bonds (distance) C4'-P energy: -132.237 bonds (distance) P-C4' energy: -151.784 flat angles C4'-P-C4' energy: -179.451 flat angles P-C4'-P energy: -119.070 tors. eta vs tors. theta energy: -243.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2691.812825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.812825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.812825 (E_RNA) where: Base-Base interactions energy: -1937.353 where: short stacking energy: -774.286 Base-Backbone interact. energy: -6.931 local terms energy: -747.528968 where: bonds (distance) C4'-P energy: -141.576 bonds (distance) P-C4' energy: -148.778 flat angles C4'-P-C4' energy: -150.672 flat angles P-C4'-P energy: -111.570 tors. eta vs tors. theta energy: -194.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2571.896952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.896952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.896952 (E_RNA) where: Base-Base interactions energy: -1780.745 where: short stacking energy: -748.327 Base-Backbone interact. energy: -3.827 local terms energy: -787.324934 where: bonds (distance) C4'-P energy: -155.204 bonds (distance) P-C4' energy: -150.071 flat angles C4'-P-C4' energy: -159.919 flat angles P-C4'-P energy: -112.363 tors. eta vs tors. theta energy: -209.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2340.737603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.737603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.737603 (E_RNA) where: Base-Base interactions energy: -1627.082 where: short stacking energy: -709.022 Base-Backbone interact. energy: 1.996 local terms energy: -715.650741 where: bonds (distance) C4'-P energy: -130.040 bonds (distance) P-C4' energy: -133.396 flat angles C4'-P-C4' energy: -165.330 flat angles P-C4'-P energy: -105.212 tors. eta vs tors. theta energy: -181.673 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: 7, replica: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2184.687143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.687143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.687143 (E_RNA) where: Base-Base interactions energy: -1509.192 where: short stacking energy: -659.409 Base-Backbone interact. energy: -1.386 local terms energy: -674.109403 where: bonds (distance) C4'-P energy: -124.014 bonds (distance) P-C4' energy: -135.986 flat angles C4'-P-C4' energy: -163.961 flat angles P-C4'-P energy: -84.873 tors. eta vs tors. theta energy: -165.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1907.431010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.431010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.431010 (E_RNA) where: Base-Base interactions energy: -1307.416 where: short stacking energy: -563.066 Base-Backbone interact. energy: 7.895 local terms energy: -607.909775 where: bonds (distance) C4'-P energy: -122.652 bonds (distance) P-C4' energy: -139.462 flat angles C4'-P-C4' energy: -155.108 flat angles P-C4'-P energy: -78.234 tors. eta vs tors. theta energy: -112.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1638.287985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.287985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.287985 (E_RNA) where: Base-Base interactions energy: -1063.563 where: short stacking energy: -477.552 Base-Backbone interact. energy: -2.893 local terms energy: -571.832786 where: bonds (distance) C4'-P energy: -134.823 bonds (distance) P-C4' energy: -125.717 flat angles C4'-P-C4' energy: -129.215 flat angles P-C4'-P energy: -90.219 tors. eta vs tors. theta energy: -91.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1278.108114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.108114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.108114 (E_RNA) where: Base-Base interactions energy: -810.210 where: short stacking energy: -382.926 Base-Backbone interact. energy: 2.387 local terms energy: -470.284942 where: bonds (distance) C4'-P energy: -143.859 bonds (distance) P-C4' energy: -111.068 flat angles C4'-P-C4' energy: -122.676 flat angles P-C4'-P energy: -52.365 tors. eta vs tors. theta energy: -40.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3002.763375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.763375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.763375 (E_RNA) where: Base-Base interactions energy: -2127.947 where: short stacking energy: -888.676 Base-Backbone interact. energy: -4.052 local terms energy: -870.764330 where: bonds (distance) C4'-P energy: -159.381 bonds (distance) P-C4' energy: -163.577 flat angles C4'-P-C4' energy: -183.308 flat angles P-C4'-P energy: -124.115 tors. eta vs tors. theta energy: -240.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2890.175613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.175613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.175613 (E_RNA) where: Base-Base interactions energy: -2064.049 where: short stacking energy: -883.858 Base-Backbone interact. energy: -1.298 local terms energy: -824.828548 where: bonds (distance) C4'-P energy: -161.739 bonds (distance) P-C4' energy: -144.477 flat angles C4'-P-C4' energy: -166.232 flat angles P-C4'-P energy: -112.524 tors. eta vs tors. theta energy: -239.856 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: 217 Temperature: 1.000000 Total energy: -2813.663581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.663581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.663581 (E_RNA) where: Base-Base interactions energy: -2001.479 where: short stacking energy: -820.286 Base-Backbone interact. energy: -5.417 local terms energy: -806.767520 where: bonds (distance) C4'-P energy: -145.090 bonds (distance) P-C4' energy: -168.989 flat angles C4'-P-C4' energy: -171.509 flat angles P-C4'-P energy: -106.240 tors. eta vs tors. theta energy: -214.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2641.552173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.552173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.552173 (E_RNA) where: Base-Base interactions energy: -1884.728 where: short stacking energy: -763.803 Base-Backbone interact. energy: -1.611 local terms energy: -755.213151 where: bonds (distance) C4'-P energy: -132.172 bonds (distance) P-C4' energy: -148.273 flat angles C4'-P-C4' energy: -166.603 flat angles P-C4'-P energy: -111.716 tors. eta vs tors. theta energy: -196.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2530.628356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.628356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.628356 (E_RNA) where: Base-Base interactions energy: -1754.392 where: short stacking energy: -751.037 Base-Backbone interact. energy: -5.021 local terms energy: -771.215578 where: bonds (distance) C4'-P energy: -138.805 bonds (distance) P-C4' energy: -146.984 flat angles C4'-P-C4' energy: -168.185 flat angles P-C4'-P energy: -110.511 tors. eta vs tors. theta energy: -206.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2390.562213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.562213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.562213 (E_RNA) where: Base-Base interactions energy: -1708.601 where: short stacking energy: -712.702 Base-Backbone interact. energy: 0.678 local terms energy: -682.638818 where: bonds (distance) C4'-P energy: -123.358 bonds (distance) P-C4' energy: -132.649 flat angles C4'-P-C4' energy: -155.657 flat angles P-C4'-P energy: -102.164 tors. eta vs tors. theta energy: -168.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2100.827192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.827192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.827192 (E_RNA) where: Base-Base interactions energy: -1475.414 where: short stacking energy: -635.941 Base-Backbone interact. energy: -0.786 local terms energy: -624.627317 where: bonds (distance) C4'-P energy: -135.852 bonds (distance) P-C4' energy: -131.815 flat angles C4'-P-C4' energy: -150.121 flat angles P-C4'-P energy: -73.514 tors. eta vs tors. theta energy: -133.325 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: 4 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1998.783209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.783209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.783209 (E_RNA) where: Base-Base interactions energy: -1367.150 where: short stacking energy: -594.931 Base-Backbone interact. energy: 3.279 local terms energy: -634.911952 where: bonds (distance) C4'-P energy: -114.201 bonds (distance) P-C4' energy: -126.056 flat angles C4'-P-C4' energy: -153.835 flat angles P-C4'-P energy: -102.017 tors. eta vs tors. theta energy: -138.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1652.374157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.374157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.374157 (E_RNA) where: Base-Base interactions energy: -1115.002 where: short stacking energy: -493.408 Base-Backbone interact. energy: -4.749 local terms energy: -532.623164 where: bonds (distance) C4'-P energy: -118.512 bonds (distance) P-C4' energy: -127.429 flat angles C4'-P-C4' energy: -120.307 flat angles P-C4'-P energy: -83.472 tors. eta vs tors. theta energy: -82.903 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: 6 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1374.628856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.628856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.628856 (E_RNA) where: Base-Base interactions energy: -856.627 where: short stacking energy: -433.642 Base-Backbone interact. energy: 1.875 local terms energy: -519.877367 where: bonds (distance) C4'-P energy: -126.436 bonds (distance) P-C4' energy: -128.822 flat angles C4'-P-C4' energy: -131.544 flat angles P-C4'-P energy: -69.752 tors. eta vs tors. theta energy: -63.323 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: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3004.858796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.858796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.858796 (E_RNA) where: Base-Base interactions energy: -2130.998 where: short stacking energy: -905.415 Base-Backbone interact. energy: -3.911 local terms energy: -869.949141 where: bonds (distance) C4'-P energy: -150.229 bonds (distance) P-C4' energy: -158.412 flat angles C4'-P-C4' energy: -176.932 flat angles P-C4'-P energy: -137.364 tors. eta vs tors. theta energy: -247.012 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: 1 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2899.737113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.737113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.737113 (E_RNA) where: Base-Base interactions energy: -2035.138 where: short stacking energy: -873.795 Base-Backbone interact. energy: 8.377 local terms energy: -872.976558 where: bonds (distance) C4'-P energy: -171.475 bonds (distance) P-C4' energy: -158.213 flat angles C4'-P-C4' energy: -174.097 flat angles P-C4'-P energy: -125.263 tors. eta vs tors. theta energy: -243.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2845.724126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.724126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.724126 (E_RNA) where: Base-Base interactions energy: -2060.153 where: short stacking energy: -854.391 Base-Backbone interact. energy: -0.104 local terms energy: -785.467130 where: bonds (distance) C4'-P energy: -126.611 bonds (distance) P-C4' energy: -152.374 flat angles C4'-P-C4' energy: -177.005 flat angles P-C4'-P energy: -116.840 tors. eta vs tors. theta energy: -212.637 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: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2661.329060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.329060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.329060 (E_RNA) where: Base-Base interactions energy: -1901.732 where: short stacking energy: -782.101 Base-Backbone interact. energy: 0.046 local terms energy: -759.643009 where: bonds (distance) C4'-P energy: -145.529 bonds (distance) P-C4' energy: -153.558 flat angles C4'-P-C4' energy: -157.620 flat angles P-C4'-P energy: -110.738 tors. eta vs tors. theta energy: -192.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2550.897273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.897273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.897273 (E_RNA) where: Base-Base interactions energy: -1798.204 where: short stacking energy: -755.908 Base-Backbone interact. energy: -3.482 local terms energy: -749.210447 where: bonds (distance) C4'-P energy: -141.918 bonds (distance) P-C4' energy: -151.856 flat angles C4'-P-C4' energy: -150.648 flat angles P-C4'-P energy: -100.205 tors. eta vs tors. theta energy: -204.583 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: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2378.122055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.122055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.122055 (E_RNA) where: Base-Base interactions energy: -1695.276 where: short stacking energy: -709.214 Base-Backbone interact. energy: 2.150 local terms energy: -684.996591 where: bonds (distance) C4'-P energy: -110.432 bonds (distance) P-C4' energy: -134.828 flat angles C4'-P-C4' energy: -159.623 flat angles P-C4'-P energy: -109.739 tors. eta vs tors. theta energy: -170.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -2083.105654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.105654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.105654 (E_RNA) where: Base-Base interactions energy: -1474.300 where: short stacking energy: -657.940 Base-Backbone interact. energy: -0.338 local terms energy: -608.467101 where: bonds (distance) C4'-P energy: -112.323 bonds (distance) P-C4' energy: -120.504 flat angles C4'-P-C4' energy: -124.513 flat angles P-C4'-P energy: -101.354 tors. eta vs tors. theta energy: -149.773 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: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -2084.449388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.449388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.449388 (E_RNA) where: Base-Base interactions energy: -1445.084 where: short stacking energy: -656.130 Base-Backbone interact. energy: 1.252 local terms energy: -640.617973 where: bonds (distance) C4'-P energy: -147.142 bonds (distance) P-C4' energy: -129.460 flat angles C4'-P-C4' energy: -147.062 flat angles P-C4'-P energy: -65.701 tors. eta vs tors. theta energy: -151.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1644.437334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.437334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.437334 (E_RNA) where: Base-Base interactions energy: -1105.608 where: short stacking energy: -479.288 Base-Backbone interact. energy: 0.455 local terms energy: -539.284241 where: bonds (distance) C4'-P energy: -108.241 bonds (distance) P-C4' energy: -131.895 flat angles C4'-P-C4' energy: -134.231 flat angles P-C4'-P energy: -85.753 tors. eta vs tors. theta energy: -79.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1344.063859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.063859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.063859 (E_RNA) where: Base-Base interactions energy: -822.309 where: short stacking energy: -391.581 Base-Backbone interact. energy: -2.553 local terms energy: -519.201466 where: bonds (distance) C4'-P energy: -133.111 bonds (distance) P-C4' energy: -141.171 flat angles C4'-P-C4' energy: -119.356 flat angles P-C4'-P energy: -67.915 tors. eta vs tors. theta energy: -57.650 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: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2990.016917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.016917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.016917 (E_RNA) where: Base-Base interactions energy: -2115.891 where: short stacking energy: -889.835 Base-Backbone interact. energy: -5.055 local terms energy: -869.070850 where: bonds (distance) C4'-P energy: -154.132 bonds (distance) P-C4' energy: -160.294 flat angles C4'-P-C4' energy: -193.257 flat angles P-C4'-P energy: -122.369 tors. eta vs tors. theta energy: -239.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2916.377160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.377160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.377160 (E_RNA) where: Base-Base interactions energy: -2063.985 where: short stacking energy: -887.283 Base-Backbone interact. energy: -2.548 local terms energy: -849.843574 where: bonds (distance) C4'-P energy: -169.675 bonds (distance) P-C4' energy: -151.112 flat angles C4'-P-C4' energy: -168.812 flat angles P-C4'-P energy: -113.591 tors. eta vs tors. theta energy: -246.653 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: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2848.469289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.469289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.469289 (E_RNA) where: Base-Base interactions energy: -2048.327 where: short stacking energy: -827.290 Base-Backbone interact. energy: -0.234 local terms energy: -799.908581 where: bonds (distance) C4'-P energy: -160.803 bonds (distance) P-C4' energy: -137.177 flat angles C4'-P-C4' energy: -169.295 flat angles P-C4'-P energy: -123.560 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: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2709.762843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.762843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.762843 (E_RNA) where: Base-Base interactions energy: -1969.547 where: short stacking energy: -777.811 Base-Backbone interact. energy: -1.953 local terms energy: -738.262719 where: bonds (distance) C4'-P energy: -126.929 bonds (distance) P-C4' energy: -143.048 flat angles C4'-P-C4' energy: -168.318 flat angles P-C4'-P energy: -104.325 tors. eta vs tors. theta energy: -195.641 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: 5, replica: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2520.525370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.525370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.525370 (E_RNA) where: Base-Base interactions energy: -1778.463 where: short stacking energy: -744.787 Base-Backbone interact. energy: -3.842 local terms energy: -738.219878 where: bonds (distance) C4'-P energy: -130.420 bonds (distance) P-C4' energy: -146.190 flat angles C4'-P-C4' energy: -161.598 flat angles P-C4'-P energy: -102.314 tors. eta vs tors. theta energy: -197.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2319.221027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.221027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.221027 (E_RNA) where: Base-Base interactions energy: -1620.634 where: short stacking energy: -708.711 Base-Backbone interact. energy: -3.280 local terms energy: -695.306955 where: bonds (distance) C4'-P energy: -139.695 bonds (distance) P-C4' energy: -131.381 flat angles C4'-P-C4' energy: -151.492 flat angles P-C4'-P energy: -100.556 tors. eta vs tors. theta energy: -172.182 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: 4 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -2129.402490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.402490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.402490 (E_RNA) where: Base-Base interactions energy: -1485.441 where: short stacking energy: -615.733 Base-Backbone interact. energy: -5.813 local terms energy: -638.148748 where: bonds (distance) C4'-P energy: -123.554 bonds (distance) P-C4' energy: -136.540 flat angles C4'-P-C4' energy: -157.822 flat angles P-C4'-P energy: -85.444 tors. eta vs tors. theta energy: -134.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -2063.511503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.511503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.511503 (E_RNA) where: Base-Base interactions energy: -1409.152 where: short stacking energy: -630.761 Base-Backbone interact. energy: 4.367 local terms energy: -658.726574 where: bonds (distance) C4'-P energy: -123.443 bonds (distance) P-C4' energy: -135.424 flat angles C4'-P-C4' energy: -154.827 flat angles P-C4'-P energy: -95.558 tors. eta vs tors. theta energy: -149.474 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: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1662.486875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.486875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.486875 (E_RNA) where: Base-Base interactions energy: -1087.717 where: short stacking energy: -519.344 Base-Backbone interact. energy: -3.438 local terms energy: -571.332121 where: bonds (distance) C4'-P energy: -109.723 bonds (distance) P-C4' energy: -141.871 flat angles C4'-P-C4' energy: -138.256 flat angles P-C4'-P energy: -75.226 tors. eta vs tors. theta energy: -106.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1254.815339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.815339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.815339 (E_RNA) where: Base-Base interactions energy: -793.183 where: short stacking energy: -372.332 Base-Backbone interact. energy: 3.737 local terms energy: -465.368975 where: bonds (distance) C4'-P energy: -117.156 bonds (distance) P-C4' energy: -109.686 flat angles C4'-P-C4' energy: -103.595 flat angles P-C4'-P energy: -80.012 tors. eta vs tors. theta energy: -54.920 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: 7 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3010.604871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.604871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.604871 (E_RNA) where: Base-Base interactions energy: -2140.150 where: short stacking energy: -917.835 Base-Backbone interact. energy: 0.143 local terms energy: -870.597426 where: bonds (distance) C4'-P energy: -158.648 bonds (distance) P-C4' energy: -162.013 flat angles C4'-P-C4' energy: -183.548 flat angles P-C4'-P energy: -116.117 tors. eta vs tors. theta energy: -250.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2907.212388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.212388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.212388 (E_RNA) where: Base-Base interactions energy: -2060.392 where: short stacking energy: -878.857 Base-Backbone interact. energy: -4.359 local terms energy: -842.460452 where: bonds (distance) C4'-P energy: -150.256 bonds (distance) P-C4' energy: -152.610 flat angles C4'-P-C4' energy: -180.024 flat angles P-C4'-P energy: -122.129 tors. eta vs tors. theta energy: -237.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2789.007622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.007622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.007622 (E_RNA) where: Base-Base interactions energy: -2000.799 where: short stacking energy: -808.296 Base-Backbone interact. energy: 5.771 local terms energy: -793.979533 where: bonds (distance) C4'-P energy: -155.772 bonds (distance) P-C4' energy: -146.083 flat angles C4'-P-C4' energy: -178.600 flat angles P-C4'-P energy: -113.456 tors. eta vs tors. theta energy: -200.068 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: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2777.648523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.648523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.648523 (E_RNA) where: Base-Base interactions energy: -1998.072 where: short stacking energy: -812.282 Base-Backbone interact. energy: -3.797 local terms energy: -775.779462 where: bonds (distance) C4'-P energy: -134.781 bonds (distance) P-C4' energy: -152.484 flat angles C4'-P-C4' energy: -160.031 flat angles P-C4'-P energy: -111.935 tors. eta vs tors. theta energy: -216.549 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: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2553.098084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.098084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.098084 (E_RNA) where: Base-Base interactions energy: -1798.654 where: short stacking energy: -775.933 Base-Backbone interact. energy: -2.842 local terms energy: -751.601678 where: bonds (distance) C4'-P energy: -144.265 bonds (distance) P-C4' energy: -146.557 flat angles C4'-P-C4' energy: -158.003 flat angles P-C4'-P energy: -98.196 tors. eta vs tors. theta energy: -204.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2346.204826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.204826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.204826 (E_RNA) where: Base-Base interactions energy: -1622.587 where: short stacking energy: -715.554 Base-Backbone interact. energy: 0.807 local terms energy: -724.424976 where: bonds (distance) C4'-P energy: -141.128 bonds (distance) P-C4' energy: -133.441 flat angles C4'-P-C4' energy: -157.961 flat angles P-C4'-P energy: -114.391 tors. eta vs tors. theta energy: -177.505 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: 220 Temperature: 1.200000 Total energy: -2105.060874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.060874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.060874 (E_RNA) where: Base-Base interactions energy: -1397.183 where: short stacking energy: -593.313 Base-Backbone interact. energy: -5.240 local terms energy: -702.638577 where: bonds (distance) C4'-P energy: -142.848 bonds (distance) P-C4' energy: -161.988 flat angles C4'-P-C4' energy: -150.724 flat angles P-C4'-P energy: -89.358 tors. eta vs tors. theta energy: -157.722 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: 220 Temperature: 1.250000 Total energy: -2044.349024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.349024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.349024 (E_RNA) where: Base-Base interactions energy: -1403.792 where: short stacking energy: -641.805 Base-Backbone interact. energy: 2.977 local terms energy: -643.534595 where: bonds (distance) C4'-P energy: -123.887 bonds (distance) P-C4' energy: -127.620 flat angles C4'-P-C4' energy: -130.205 flat angles P-C4'-P energy: -113.817 tors. eta vs tors. theta energy: -148.006 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: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1628.996269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.996269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.996269 (E_RNA) where: Base-Base interactions energy: -1072.081 where: short stacking energy: -491.205 Base-Backbone interact. energy: 6.505 local terms energy: -563.420022 where: bonds (distance) C4'-P energy: -128.428 bonds (distance) P-C4' energy: -139.451 flat angles C4'-P-C4' energy: -139.590 flat angles P-C4'-P energy: -72.568 tors. eta vs tors. theta energy: -83.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1293.159208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.159208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.159208 (E_RNA) where: Base-Base interactions energy: -795.648 where: short stacking energy: -392.966 Base-Backbone interact. energy: -2.341 local terms energy: -495.169501 where: bonds (distance) C4'-P energy: -127.333 bonds (distance) P-C4' energy: -116.599 flat angles C4'-P-C4' energy: -123.453 flat angles P-C4'-P energy: -70.308 tors. eta vs tors. theta energy: -57.477 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: 7 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -3029.580721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.580721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.580721 (E_RNA) where: Base-Base interactions energy: -2144.946 where: short stacking energy: -907.438 Base-Backbone interact. energy: -2.337 local terms energy: -882.297312 where: bonds (distance) C4'-P energy: -167.157 bonds (distance) P-C4' energy: -164.282 flat angles C4'-P-C4' energy: -180.309 flat angles P-C4'-P energy: -132.228 tors. eta vs tors. theta energy: -238.321 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: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2927.743351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.743351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.743351 (E_RNA) where: Base-Base interactions energy: -2061.890 where: short stacking energy: -873.428 Base-Backbone interact. energy: 1.496 local terms energy: -867.348882 where: bonds (distance) C4'-P energy: -163.072 bonds (distance) P-C4' energy: -168.020 flat angles C4'-P-C4' energy: -183.142 flat angles P-C4'-P energy: -109.228 tors. eta vs tors. theta energy: -243.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2765.858274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.858274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.858274 (E_RNA) where: Base-Base interactions energy: -1961.858 where: short stacking energy: -777.587 Base-Backbone interact. energy: -2.981 local terms energy: -801.019441 where: bonds (distance) C4'-P energy: -152.707 bonds (distance) P-C4' energy: -151.209 flat angles C4'-P-C4' energy: -177.646 flat angles P-C4'-P energy: -116.389 tors. eta vs tors. theta energy: -203.067 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: 4, replica: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2775.029930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.029930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.029930 (E_RNA) where: Base-Base interactions energy: -1989.371 where: short stacking energy: -810.576 Base-Backbone interact. energy: 0.925 local terms energy: -786.584250 where: bonds (distance) C4'-P energy: -160.221 bonds (distance) P-C4' energy: -132.206 flat angles C4'-P-C4' energy: -173.077 flat angles P-C4'-P energy: -113.469 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: 3 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2538.198403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.198403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.198403 (E_RNA) where: Base-Base interactions energy: -1790.600 where: short stacking energy: -758.802 Base-Backbone interact. energy: -3.268 local terms energy: -744.330255 where: bonds (distance) C4'-P energy: -140.885 bonds (distance) P-C4' energy: -143.035 flat angles C4'-P-C4' energy: -168.090 flat angles P-C4'-P energy: -92.110 tors. eta vs tors. theta energy: -200.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2352.972895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.972895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.972895 (E_RNA) where: Base-Base interactions energy: -1647.247 where: short stacking energy: -680.053 Base-Backbone interact. energy: -0.173 local terms energy: -705.552681 where: bonds (distance) C4'-P energy: -145.116 bonds (distance) P-C4' energy: -150.060 flat angles C4'-P-C4' energy: -156.784 flat angles P-C4'-P energy: -96.002 tors. eta vs tors. theta energy: -157.590 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: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -2120.887823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.887823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.887823 (E_RNA) where: Base-Base interactions energy: -1460.735 where: short stacking energy: -653.102 Base-Backbone interact. energy: -3.675 local terms energy: -656.478059 where: bonds (distance) C4'-P energy: -119.710 bonds (distance) P-C4' energy: -134.471 flat angles C4'-P-C4' energy: -152.577 flat angles P-C4'-P energy: -98.152 tors. eta vs tors. theta energy: -151.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -2102.706702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.706702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.706702 (E_RNA) where: Base-Base interactions energy: -1425.791 where: short stacking energy: -620.105 Base-Backbone interact. energy: 2.324 local terms energy: -679.239593 where: bonds (distance) C4'-P energy: -127.984 bonds (distance) P-C4' energy: -129.763 flat angles C4'-P-C4' energy: -162.764 flat angles P-C4'-P energy: -100.433 tors. eta vs tors. theta energy: -158.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1621.206239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.206239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.206239 (E_RNA) where: Base-Base interactions energy: -1076.366 where: short stacking energy: -490.413 Base-Backbone interact. energy: 3.940 local terms energy: -548.780896 where: bonds (distance) C4'-P energy: -105.542 bonds (distance) P-C4' energy: -135.412 flat angles C4'-P-C4' energy: -114.194 flat angles P-C4'-P energy: -106.100 tors. eta vs tors. theta energy: -87.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1378.850295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.850295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.850295 (E_RNA) where: Base-Base interactions energy: -893.240 where: short stacking energy: -404.353 Base-Backbone interact. energy: 3.747 local terms energy: -489.357326 where: bonds (distance) C4'-P energy: -116.390 bonds (distance) P-C4' energy: -137.424 flat angles C4'-P-C4' energy: -120.450 flat angles P-C4'-P energy: -70.260 tors. eta vs tors. theta energy: -44.833 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: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -3037.997676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.997676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.997676 (E_RNA) where: Base-Base interactions energy: -2186.418 where: short stacking energy: -922.323 Base-Backbone interact. energy: -2.945 local terms energy: -848.634376 where: bonds (distance) C4'-P energy: -157.969 bonds (distance) P-C4' energy: -150.777 flat angles C4'-P-C4' energy: -181.168 flat angles P-C4'-P energy: -116.378 tors. eta vs tors. theta energy: -242.342 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: 2, replica: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2923.454423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.454423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.454423 (E_RNA) where: Base-Base interactions energy: -2081.377 where: short stacking energy: -876.208 Base-Backbone interact. energy: 4.106 local terms energy: -846.184030 where: bonds (distance) C4'-P energy: -155.875 bonds (distance) P-C4' energy: -166.043 flat angles C4'-P-C4' energy: -179.762 flat angles P-C4'-P energy: -114.496 tors. eta vs tors. theta energy: -230.009 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: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2770.878662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.878662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.878662 (E_RNA) where: Base-Base interactions energy: -1998.136 where: short stacking energy: -819.923 Base-Backbone interact. energy: -3.899 local terms energy: -768.843229 where: bonds (distance) C4'-P energy: -130.657 bonds (distance) P-C4' energy: -139.716 flat angles C4'-P-C4' energy: -175.967 flat angles P-C4'-P energy: -126.103 tors. eta vs tors. theta energy: -196.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2755.351462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.351462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.351462 (E_RNA) where: Base-Base interactions energy: -1961.782 where: short stacking energy: -791.972 Base-Backbone interact. energy: -4.058 local terms energy: -789.511718 where: bonds (distance) C4'-P energy: -155.153 bonds (distance) P-C4' energy: -161.368 flat angles C4'-P-C4' energy: -149.405 flat angles P-C4'-P energy: -115.100 tors. eta vs tors. theta energy: -208.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2502.730503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.730503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.730503 (E_RNA) where: Base-Base interactions energy: -1741.500 where: short stacking energy: -751.320 Base-Backbone interact. energy: -0.502 local terms energy: -760.728653 where: bonds (distance) C4'-P energy: -145.016 bonds (distance) P-C4' energy: -141.445 flat angles C4'-P-C4' energy: -170.536 flat angles P-C4'-P energy: -112.706 tors. eta vs tors. theta energy: -191.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2320.923464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.923464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.923464 (E_RNA) where: Base-Base interactions energy: -1671.752 where: short stacking energy: -715.000 Base-Backbone interact. energy: -1.746 local terms energy: -647.425186 where: bonds (distance) C4'-P energy: -132.275 bonds (distance) P-C4' energy: -119.578 flat angles C4'-P-C4' energy: -150.373 flat angles P-C4'-P energy: -81.317 tors. eta vs tors. theta energy: -163.882 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: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -2123.480102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.480102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.480102 (E_RNA) where: Base-Base interactions energy: -1467.768 where: short stacking energy: -646.332 Base-Backbone interact. energy: 0.187 local terms energy: -655.898548 where: bonds (distance) C4'-P energy: -117.296 bonds (distance) P-C4' energy: -137.155 flat angles C4'-P-C4' energy: -141.855 flat angles P-C4'-P energy: -104.443 tors. eta vs tors. theta energy: -155.150 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: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -2055.890956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.890956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.890956 (E_RNA) where: Base-Base interactions energy: -1384.244 where: short stacking energy: -612.137 Base-Backbone interact. energy: -0.661 local terms energy: -670.985899 where: bonds (distance) C4'-P energy: -128.516 bonds (distance) P-C4' energy: -142.355 flat angles C4'-P-C4' energy: -152.205 flat angles P-C4'-P energy: -95.491 tors. eta vs tors. theta energy: -152.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1630.869612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.869612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.869612 (E_RNA) where: Base-Base interactions energy: -1051.816 where: short stacking energy: -478.027 Base-Backbone interact. energy: -2.490 local terms energy: -576.563906 where: bonds (distance) C4'-P energy: -113.256 bonds (distance) P-C4' energy: -141.855 flat angles C4'-P-C4' energy: -131.602 flat angles P-C4'-P energy: -93.138 tors. eta vs tors. theta energy: -96.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -1476.978542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.978542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.978542 (E_RNA) where: Base-Base interactions energy: -965.571 where: short stacking energy: -439.945 Base-Backbone interact. energy: 2.818 local terms energy: -514.225514 where: bonds (distance) C4'-P energy: -114.509 bonds (distance) P-C4' energy: -140.256 flat angles C4'-P-C4' energy: -131.878 flat angles P-C4'-P energy: -67.435 tors. eta vs tors. theta energy: -60.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -3047.241518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.241518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.241518 (E_RNA) where: Base-Base interactions energy: -2172.396 where: short stacking energy: -917.199 Base-Backbone interact. energy: -6.124 local terms energy: -868.722053 where: bonds (distance) C4'-P energy: -154.384 bonds (distance) P-C4' energy: -160.528 flat angles C4'-P-C4' energy: -194.400 flat angles P-C4'-P energy: -113.443 tors. eta vs tors. theta energy: -245.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2915.063350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.063350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.063350 (E_RNA) where: Base-Base interactions energy: -2046.678 where: short stacking energy: -853.309 Base-Backbone interact. energy: -3.861 local terms energy: -864.524653 where: bonds (distance) C4'-P energy: -160.591 bonds (distance) P-C4' energy: -170.549 flat angles C4'-P-C4' energy: -173.952 flat angles P-C4'-P energy: -110.908 tors. eta vs tors. theta energy: -248.525 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: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2774.834481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.834481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.834481 (E_RNA) where: Base-Base interactions energy: -1986.637 where: short stacking energy: -812.895 Base-Backbone interact. energy: -3.481 local terms energy: -784.716481 where: bonds (distance) C4'-P energy: -149.947 bonds (distance) P-C4' energy: -142.617 flat angles C4'-P-C4' energy: -167.491 flat angles P-C4'-P energy: -123.838 tors. eta vs tors. theta energy: -200.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2768.786819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.786819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.786819 (E_RNA) where: Base-Base interactions energy: -1969.734 where: short stacking energy: -827.895 Base-Backbone interact. energy: -4.965 local terms energy: -794.088145 where: bonds (distance) C4'-P energy: -130.005 bonds (distance) P-C4' energy: -154.343 flat angles C4'-P-C4' energy: -171.501 flat angles P-C4'-P energy: -119.817 tors. eta vs tors. theta energy: -218.422 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: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2478.342382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.342382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.342382 (E_RNA) where: Base-Base interactions energy: -1723.824 where: short stacking energy: -725.269 Base-Backbone interact. energy: -2.645 local terms energy: -751.872868 where: bonds (distance) C4'-P energy: -162.473 bonds (distance) P-C4' energy: -131.727 flat angles C4'-P-C4' energy: -149.547 flat angles P-C4'-P energy: -99.155 tors. eta vs tors. theta energy: -208.971 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: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2336.933996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.933996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.933996 (E_RNA) where: Base-Base interactions energy: -1601.508 where: short stacking energy: -732.663 Base-Backbone interact. energy: -3.338 local terms energy: -732.088520 where: bonds (distance) C4'-P energy: -135.088 bonds (distance) P-C4' energy: -142.957 flat angles C4'-P-C4' energy: -167.212 flat angles P-C4'-P energy: -102.062 tors. eta vs tors. theta energy: -184.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -2157.348578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.348578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.348578 (E_RNA) where: Base-Base interactions energy: -1535.300 where: short stacking energy: -643.027 Base-Backbone interact. energy: 0.080 local terms energy: -622.128899 where: bonds (distance) C4'-P energy: -113.449 bonds (distance) P-C4' energy: -130.046 flat angles C4'-P-C4' energy: -145.636 flat angles P-C4'-P energy: -86.399 tors. eta vs tors. theta energy: -146.598 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: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -2045.593844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.593844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.593844 (E_RNA) where: Base-Base interactions energy: -1410.492 where: short stacking energy: -624.742 Base-Backbone interact. energy: -1.717 local terms energy: -633.384134 where: bonds (distance) C4'-P energy: -116.917 bonds (distance) P-C4' energy: -141.165 flat angles C4'-P-C4' energy: -155.957 flat angles P-C4'-P energy: -69.664 tors. eta vs tors. theta energy: -149.681 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: 5 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1607.897868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.897868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.897868 (E_RNA) where: Base-Base interactions energy: -1068.739 where: short stacking energy: -483.553 Base-Backbone interact. energy: -1.352 local terms energy: -537.806660 where: bonds (distance) C4'-P energy: -124.981 bonds (distance) P-C4' energy: -115.763 flat angles C4'-P-C4' energy: -121.298 flat angles P-C4'-P energy: -86.131 tors. eta vs tors. theta energy: -89.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1420.086019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.086019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.086019 (E_RNA) where: Base-Base interactions energy: -888.660 where: short stacking energy: -448.978 Base-Backbone interact. energy: -2.138 local terms energy: -529.287668 where: bonds (distance) C4'-P energy: -127.541 bonds (distance) P-C4' energy: -117.633 flat angles C4'-P-C4' energy: -133.151 flat angles P-C4'-P energy: -70.867 tors. eta vs tors. theta energy: -80.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3032.952341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.952341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.952341 (E_RNA) where: Base-Base interactions energy: -2158.255 where: short stacking energy: -902.580 Base-Backbone interact. energy: -5.501 local terms energy: -869.196259 where: bonds (distance) C4'-P energy: -157.508 bonds (distance) P-C4' energy: -161.529 flat angles C4'-P-C4' energy: -183.292 flat angles P-C4'-P energy: -125.575 tors. eta vs tors. theta energy: -241.292 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: 1 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2934.901555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.901555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.901555 (E_RNA) where: Base-Base interactions energy: -2052.124 where: short stacking energy: -872.786 Base-Backbone interact. energy: -0.415 local terms energy: -882.362919 where: bonds (distance) C4'-P energy: -157.266 bonds (distance) P-C4' energy: -157.912 flat angles C4'-P-C4' energy: -201.055 flat angles P-C4'-P energy: -115.492 tors. eta vs tors. theta energy: -250.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2865.664296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.664296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.664296 (E_RNA) where: Base-Base interactions energy: -2071.602 where: short stacking energy: -864.840 Base-Backbone interact. energy: -5.388 local terms energy: -788.673811 where: bonds (distance) C4'-P energy: -128.589 bonds (distance) P-C4' energy: -147.152 flat angles C4'-P-C4' energy: -169.340 flat angles P-C4'-P energy: -124.574 tors. eta vs tors. theta energy: -219.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2745.534662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.534662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.534662 (E_RNA) where: Base-Base interactions energy: -1968.092 where: short stacking energy: -770.203 Base-Backbone interact. energy: -2.303 local terms energy: -775.140561 where: bonds (distance) C4'-P energy: -145.114 bonds (distance) P-C4' energy: -135.913 flat angles C4'-P-C4' energy: -166.562 flat angles P-C4'-P energy: -122.873 tors. eta vs tors. theta energy: -204.678 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: 5, replica: 3 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2512.610430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.610430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.610430 (E_RNA) where: Base-Base interactions energy: -1758.012 where: short stacking energy: -779.903 Base-Backbone interact. energy: -3.408 local terms energy: -751.189890 where: bonds (distance) C4'-P energy: -138.488 bonds (distance) P-C4' energy: -139.599 flat angles C4'-P-C4' energy: -162.324 flat angles P-C4'-P energy: -99.267 tors. eta vs tors. theta energy: -211.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2329.518461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.518461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.518461 (E_RNA) where: Base-Base interactions energy: -1631.757 where: short stacking energy: -668.829 Base-Backbone interact. energy: 1.313 local terms energy: -699.075030 where: bonds (distance) C4'-P energy: -140.960 bonds (distance) P-C4' energy: -148.354 flat angles C4'-P-C4' energy: -150.775 flat angles P-C4'-P energy: -92.083 tors. eta vs tors. theta energy: -166.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -2150.091178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.091178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.091178 (E_RNA) where: Base-Base interactions energy: -1506.965 where: short stacking energy: -635.782 Base-Backbone interact. energy: -3.520 local terms energy: -639.606395 where: bonds (distance) C4'-P energy: -140.369 bonds (distance) P-C4' energy: -133.687 flat angles C4'-P-C4' energy: -151.483 flat angles P-C4'-P energy: -62.884 tors. eta vs tors. theta energy: -151.183 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: 224 Temperature: 1.250000 Total energy: -2037.655925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.655925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.655925 (E_RNA) where: Base-Base interactions energy: -1420.040 where: short stacking energy: -603.272 Base-Backbone interact. energy: -2.532 local terms energy: -615.084144 where: bonds (distance) C4'-P energy: -117.778 bonds (distance) P-C4' energy: -132.309 flat angles C4'-P-C4' energy: -137.928 flat angles P-C4'-P energy: -90.844 tors. eta vs tors. theta energy: -136.225 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: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1647.210146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.210146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.210146 (E_RNA) where: Base-Base interactions energy: -1134.608 where: short stacking energy: -508.472 Base-Backbone interact. energy: -2.591 local terms energy: -510.011137 where: bonds (distance) C4'-P energy: -95.787 bonds (distance) P-C4' energy: -108.082 flat angles C4'-P-C4' energy: -135.434 flat angles P-C4'-P energy: -71.009 tors. eta vs tors. theta energy: -99.699 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: 10, replica: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1398.997291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.997291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.997291 (E_RNA) where: Base-Base interactions energy: -904.578 where: short stacking energy: -433.580 Base-Backbone interact. energy: -0.774 local terms energy: -493.645694 where: bonds (distance) C4'-P energy: -132.231 bonds (distance) P-C4' energy: -114.561 flat angles C4'-P-C4' energy: -102.518 flat angles P-C4'-P energy: -83.525 tors. eta vs tors. theta energy: -60.811 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: 7 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3043.615091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.615091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.615091 (E_RNA) where: Base-Base interactions energy: -2155.154 where: short stacking energy: -897.565 Base-Backbone interact. energy: -3.455 local terms energy: -885.005716 where: bonds (distance) C4'-P energy: -165.869 bonds (distance) P-C4' energy: -168.682 flat angles C4'-P-C4' energy: -190.498 flat angles P-C4'-P energy: -119.401 tors. eta vs tors. theta energy: -240.556 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: 225 Temperature: 0.950000 Total energy: -2916.567317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.567317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.567317 (E_RNA) where: Base-Base interactions energy: -2072.614 where: short stacking energy: -873.687 Base-Backbone interact. energy: -1.484 local terms energy: -842.469224 where: bonds (distance) C4'-P energy: -144.892 bonds (distance) P-C4' energy: -144.824 flat angles C4'-P-C4' energy: -185.096 flat angles P-C4'-P energy: -120.068 tors. eta vs tors. theta energy: -247.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2854.921390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.921390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.921390 (E_RNA) where: Base-Base interactions energy: -2053.453 where: short stacking energy: -865.401 Base-Backbone interact. energy: -0.321 local terms energy: -801.146659 where: bonds (distance) C4'-P energy: -147.944 bonds (distance) P-C4' energy: -149.994 flat angles C4'-P-C4' energy: -175.832 flat angles P-C4'-P energy: -111.938 tors. eta vs tors. theta energy: -215.439 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: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2760.784768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.784768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.784768 (E_RNA) where: Base-Base interactions energy: -1971.743 where: short stacking energy: -794.350 Base-Backbone interact. energy: -3.276 local terms energy: -785.765486 where: bonds (distance) C4'-P energy: -153.409 bonds (distance) P-C4' energy: -152.033 flat angles C4'-P-C4' energy: -164.456 flat angles P-C4'-P energy: -113.269 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: 5, replica: 3 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2574.314965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.314965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.314965 (E_RNA) where: Base-Base interactions energy: -1812.614 where: short stacking energy: -750.646 Base-Backbone interact. energy: 5.513 local terms energy: -767.214511 where: bonds (distance) C4'-P energy: -137.559 bonds (distance) P-C4' energy: -145.678 flat angles C4'-P-C4' energy: -167.273 flat angles P-C4'-P energy: -104.029 tors. eta vs tors. theta energy: -212.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2376.301938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.301938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.301938 (E_RNA) where: Base-Base interactions energy: -1643.164 where: short stacking energy: -709.789 Base-Backbone interact. energy: -6.247 local terms energy: -726.891708 where: bonds (distance) C4'-P energy: -138.128 bonds (distance) P-C4' energy: -145.586 flat angles C4'-P-C4' energy: -169.460 flat angles P-C4'-P energy: -95.530 tors. eta vs tors. theta energy: -178.188 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: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2138.334090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.334090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.334090 (E_RNA) where: Base-Base interactions energy: -1477.580 where: short stacking energy: -614.509 Base-Backbone interact. energy: -2.562 local terms energy: -658.192184 where: bonds (distance) C4'-P energy: -138.886 bonds (distance) P-C4' energy: -138.813 flat angles C4'-P-C4' energy: -143.172 flat angles P-C4'-P energy: -101.899 tors. eta vs tors. theta energy: -135.423 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: 225 Temperature: 1.250000 Total energy: -1994.002341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.002341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.002341 (E_RNA) where: Base-Base interactions energy: -1351.206 where: short stacking energy: -591.917 Base-Backbone interact. energy: 4.300 local terms energy: -647.096150 where: bonds (distance) C4'-P energy: -105.078 bonds (distance) P-C4' energy: -140.666 flat angles C4'-P-C4' energy: -139.176 flat angles P-C4'-P energy: -114.656 tors. eta vs tors. theta energy: -147.520 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: 9, replica: 5 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1685.592316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.592316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.592316 (E_RNA) where: Base-Base interactions energy: -1126.946 where: short stacking energy: -534.457 Base-Backbone interact. energy: 1.310 local terms energy: -559.956574 where: bonds (distance) C4'-P energy: -129.394 bonds (distance) P-C4' energy: -116.532 flat angles C4'-P-C4' energy: -125.048 flat angles P-C4'-P energy: -93.207 tors. eta vs tors. theta energy: -95.776 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: 6 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1519.664169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.664169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.664169 (E_RNA) where: Base-Base interactions energy: -1007.464 where: short stacking energy: -466.387 Base-Backbone interact. energy: -0.566 local terms energy: -511.633895 where: bonds (distance) C4'-P energy: -110.598 bonds (distance) P-C4' energy: -134.598 flat angles C4'-P-C4' energy: -113.495 flat angles P-C4'-P energy: -68.897 tors. eta vs tors. theta energy: -84.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3051.137054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.137054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.137054 (E_RNA) where: Base-Base interactions energy: -2190.578 where: short stacking energy: -900.437 Base-Backbone interact. energy: -4.427 local terms energy: -856.131627 where: bonds (distance) C4'-P energy: -131.906 bonds (distance) P-C4' energy: -165.862 flat angles C4'-P-C4' energy: -199.603 flat angles P-C4'-P energy: -117.185 tors. eta vs tors. theta energy: -241.575 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: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2927.377736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.377736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.377736 (E_RNA) where: Base-Base interactions energy: -2045.633 where: short stacking energy: -866.018 Base-Backbone interact. energy: 1.074 local terms energy: -882.819340 where: bonds (distance) C4'-P energy: -165.689 bonds (distance) P-C4' energy: -150.052 flat angles C4'-P-C4' energy: -192.324 flat angles P-C4'-P energy: -127.551 tors. eta vs tors. theta energy: -247.204 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: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2864.499913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.499913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.499913 (E_RNA) where: Base-Base interactions energy: -2047.160 where: short stacking energy: -867.705 Base-Backbone interact. energy: -5.639 local terms energy: -811.701118 where: bonds (distance) C4'-P energy: -150.317 bonds (distance) P-C4' energy: -155.873 flat angles C4'-P-C4' energy: -176.943 flat angles P-C4'-P energy: -113.816 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: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2751.269049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.269049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.269049 (E_RNA) where: Base-Base interactions energy: -1965.370 where: short stacking energy: -764.526 Base-Backbone interact. energy: -5.113 local terms energy: -780.786163 where: bonds (distance) C4'-P energy: -157.027 bonds (distance) P-C4' energy: -142.871 flat angles C4'-P-C4' energy: -174.293 flat angles P-C4'-P energy: -104.673 tors. eta vs tors. theta energy: -201.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2650.097390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.097390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.097390 (E_RNA) where: Base-Base interactions energy: -1857.534 where: short stacking energy: -786.056 Base-Backbone interact. energy: 0.020 local terms energy: -792.583435 where: bonds (distance) C4'-P energy: -151.980 bonds (distance) P-C4' energy: -158.728 flat angles C4'-P-C4' energy: -168.427 flat angles P-C4'-P energy: -102.527 tors. eta vs tors. theta energy: -210.922 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: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2332.430428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.430428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.430428 (E_RNA) where: Base-Base interactions energy: -1619.825 where: short stacking energy: -715.336 Base-Backbone interact. energy: 0.681 local terms energy: -713.286482 where: bonds (distance) C4'-P energy: -144.315 bonds (distance) P-C4' energy: -121.198 flat angles C4'-P-C4' energy: -173.390 flat angles P-C4'-P energy: -99.371 tors. eta vs tors. theta energy: -175.013 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: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2079.040888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.040888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.040888 (E_RNA) where: Base-Base interactions energy: -1421.407 where: short stacking energy: -601.711 Base-Backbone interact. energy: -2.280 local terms energy: -655.353781 where: bonds (distance) C4'-P energy: -139.656 bonds (distance) P-C4' energy: -127.210 flat angles C4'-P-C4' energy: -152.715 flat angles P-C4'-P energy: -89.327 tors. eta vs tors. theta energy: -146.446 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: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -2039.199411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.199411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.199411 (E_RNA) where: Base-Base interactions energy: -1431.288 where: short stacking energy: -601.747 Base-Backbone interact. energy: 1.132 local terms energy: -609.043188 where: bonds (distance) C4'-P energy: -116.212 bonds (distance) P-C4' energy: -137.328 flat angles C4'-P-C4' energy: -153.089 flat angles P-C4'-P energy: -65.701 tors. eta vs tors. theta energy: -136.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1694.207294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.207294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.207294 (E_RNA) where: Base-Base interactions energy: -1112.018 where: short stacking energy: -497.004 Base-Backbone interact. energy: -0.526 local terms energy: -581.662994 where: bonds (distance) C4'-P energy: -121.288 bonds (distance) P-C4' energy: -122.580 flat angles C4'-P-C4' energy: -135.483 flat angles P-C4'-P energy: -93.343 tors. eta vs tors. theta energy: -108.969 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: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -1634.675863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.675863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.675863 (E_RNA) where: Base-Base interactions energy: -1083.455 where: short stacking energy: -503.305 Base-Backbone interact. energy: -1.017 local terms energy: -550.204199 where: bonds (distance) C4'-P energy: -117.184 bonds (distance) P-C4' energy: -117.325 flat angles C4'-P-C4' energy: -135.557 flat angles P-C4'-P energy: -83.608 tors. eta vs tors. theta energy: -96.530 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: 1, replica: 7 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3066.247817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.247817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.247817 (E_RNA) where: Base-Base interactions energy: -2184.149 where: short stacking energy: -924.328 Base-Backbone interact. energy: -5.500 local terms energy: -876.598170 where: bonds (distance) C4'-P energy: -143.467 bonds (distance) P-C4' energy: -171.519 flat angles C4'-P-C4' energy: -194.987 flat angles P-C4'-P energy: -122.324 tors. eta vs tors. theta energy: -244.301 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: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2921.092586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.092586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.092586 (E_RNA) where: Base-Base interactions energy: -2071.826 where: short stacking energy: -863.704 Base-Backbone interact. energy: -0.944 local terms energy: -848.322406 where: bonds (distance) C4'-P energy: -159.977 bonds (distance) P-C4' energy: -157.285 flat angles C4'-P-C4' energy: -177.012 flat angles P-C4'-P energy: -115.192 tors. eta vs tors. theta energy: -238.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2837.068561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.068561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.068561 (E_RNA) where: Base-Base interactions energy: -2025.988 where: short stacking energy: -842.240 Base-Backbone interact. energy: 3.708 local terms energy: -814.788225 where: bonds (distance) C4'-P energy: -150.311 bonds (distance) P-C4' energy: -151.415 flat angles C4'-P-C4' energy: -179.083 flat angles P-C4'-P energy: -116.558 tors. eta vs tors. theta energy: -217.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2762.811246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.811246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.811246 (E_RNA) where: Base-Base interactions energy: -1982.595 where: short stacking energy: -777.247 Base-Backbone interact. energy: -5.471 local terms energy: -774.744311 where: bonds (distance) C4'-P energy: -146.363 bonds (distance) P-C4' energy: -161.155 flat angles C4'-P-C4' energy: -165.085 flat angles P-C4'-P energy: -110.927 tors. eta vs tors. theta energy: -191.214 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: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2555.275332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.275332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.275332 (E_RNA) where: Base-Base interactions energy: -1797.795 where: short stacking energy: -757.819 Base-Backbone interact. energy: -2.500 local terms energy: -754.981171 where: bonds (distance) C4'-P energy: -135.314 bonds (distance) P-C4' energy: -134.393 flat angles C4'-P-C4' energy: -176.932 flat angles P-C4'-P energy: -104.551 tors. eta vs tors. theta energy: -203.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2321.532763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.532763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.532763 (E_RNA) where: Base-Base interactions energy: -1620.839 where: short stacking energy: -696.123 Base-Backbone interact. energy: -2.804 local terms energy: -697.889828 where: bonds (distance) C4'-P energy: -138.184 bonds (distance) P-C4' energy: -141.069 flat angles C4'-P-C4' energy: -149.623 flat angles P-C4'-P energy: -110.281 tors. eta vs tors. theta energy: -158.733 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: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -2046.435170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.435170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.435170 (E_RNA) where: Base-Base interactions energy: -1395.876 where: short stacking energy: -626.012 Base-Backbone interact. energy: 3.738 local terms energy: -654.296899 where: bonds (distance) C4'-P energy: -140.307 bonds (distance) P-C4' energy: -112.668 flat angles C4'-P-C4' energy: -148.113 flat angles P-C4'-P energy: -106.906 tors. eta vs tors. theta energy: -146.303 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: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1972.648684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.648684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.648684 (E_RNA) where: Base-Base interactions energy: -1358.903 where: short stacking energy: -549.810 Base-Backbone interact. energy: -2.032 local terms energy: -611.713662 where: bonds (distance) C4'-P energy: -118.148 bonds (distance) P-C4' energy: -128.204 flat angles C4'-P-C4' energy: -153.000 flat angles P-C4'-P energy: -91.231 tors. eta vs tors. theta energy: -121.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1700.644219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.644219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.644219 (E_RNA) where: Base-Base interactions energy: -1130.404 where: short stacking energy: -543.355 Base-Backbone interact. energy: -0.152 local terms energy: -570.087830 where: bonds (distance) C4'-P energy: -134.868 bonds (distance) P-C4' energy: -135.190 flat angles C4'-P-C4' energy: -117.679 flat angles P-C4'-P energy: -71.163 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: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -1587.311505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.311505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.311505 (E_RNA) where: Base-Base interactions energy: -1104.696 where: short stacking energy: -465.223 Base-Backbone interact. energy: 2.677 local terms energy: -485.292482 where: bonds (distance) C4'-P energy: -115.772 bonds (distance) P-C4' energy: -113.686 flat angles C4'-P-C4' energy: -134.560 flat angles P-C4'-P energy: -53.608 tors. eta vs tors. theta energy: -67.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3029.791352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.791352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.791352 (E_RNA) where: Base-Base interactions energy: -2156.478 where: short stacking energy: -897.137 Base-Backbone interact. energy: -4.985 local terms energy: -868.328515 where: bonds (distance) C4'-P energy: -145.190 bonds (distance) P-C4' energy: -170.919 flat angles C4'-P-C4' energy: -186.437 flat angles P-C4'-P energy: -122.574 tors. eta vs tors. theta energy: -243.209 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: 2, replica: 1 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2912.085250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.085250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.085250 (E_RNA) where: Base-Base interactions energy: -2068.990 where: short stacking energy: -892.264 Base-Backbone interact. energy: -2.243 local terms energy: -840.851837 where: bonds (distance) C4'-P energy: -151.639 bonds (distance) P-C4' energy: -149.171 flat angles C4'-P-C4' energy: -182.237 flat angles P-C4'-P energy: -104.797 tors. eta vs tors. theta energy: -253.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2859.973430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.973430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.973430 (E_RNA) where: Base-Base interactions energy: -2048.048 where: short stacking energy: -869.055 Base-Backbone interact. energy: -5.402 local terms energy: -806.523815 where: bonds (distance) C4'-P energy: -151.847 bonds (distance) P-C4' energy: -149.607 flat angles C4'-P-C4' energy: -174.680 flat angles P-C4'-P energy: -118.316 tors. eta vs tors. theta energy: -212.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2706.032949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.032949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.032949 (E_RNA) where: Base-Base interactions energy: -1994.065 where: short stacking energy: -798.567 Base-Backbone interact. energy: -0.337 local terms energy: -711.630795 where: bonds (distance) C4'-P energy: -136.154 bonds (distance) P-C4' energy: -127.213 flat angles C4'-P-C4' energy: -172.717 flat angles P-C4'-P energy: -95.305 tors. eta vs tors. theta energy: -180.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2501.289980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.289980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.289980 (E_RNA) where: Base-Base interactions energy: -1773.479 where: short stacking energy: -742.020 Base-Backbone interact. energy: -4.143 local terms energy: -723.667846 where: bonds (distance) C4'-P energy: -132.376 bonds (distance) P-C4' energy: -145.236 flat angles C4'-P-C4' energy: -156.875 flat angles P-C4'-P energy: -107.922 tors. eta vs tors. theta energy: -181.258 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: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2324.087530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.087530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.087530 (E_RNA) where: Base-Base interactions energy: -1633.312 where: short stacking energy: -674.130 Base-Backbone interact. energy: -2.129 local terms energy: -688.646397 where: bonds (distance) C4'-P energy: -151.087 bonds (distance) P-C4' energy: -136.205 flat angles C4'-P-C4' energy: -160.115 flat angles P-C4'-P energy: -93.155 tors. eta vs tors. theta energy: -148.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -2002.305946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.305946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.305946 (E_RNA) where: Base-Base interactions energy: -1364.212 where: short stacking energy: -594.141 Base-Backbone interact. energy: 4.315 local terms energy: -642.408559 where: bonds (distance) C4'-P energy: -141.477 bonds (distance) P-C4' energy: -139.354 flat angles C4'-P-C4' energy: -136.717 flat angles P-C4'-P energy: -88.868 tors. eta vs tors. theta energy: -135.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -2010.465700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.465700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.465700 (E_RNA) where: Base-Base interactions energy: -1390.151 where: short stacking energy: -602.250 Base-Backbone interact. energy: -3.662 local terms energy: -616.652995 where: bonds (distance) C4'-P energy: -106.706 bonds (distance) P-C4' energy: -152.576 flat angles C4'-P-C4' energy: -155.578 flat angles P-C4'-P energy: -76.100 tors. eta vs tors. theta energy: -125.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1674.673553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.673553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.673553 (E_RNA) where: Base-Base interactions energy: -1111.030 where: short stacking energy: -499.524 Base-Backbone interact. energy: 1.273 local terms energy: -564.916406 where: bonds (distance) C4'-P energy: -115.251 bonds (distance) P-C4' energy: -125.853 flat angles C4'-P-C4' energy: -122.532 flat angles P-C4'-P energy: -82.798 tors. eta vs tors. theta energy: -118.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1564.283549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.283549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.283549 (E_RNA) where: Base-Base interactions energy: -1071.127 where: short stacking energy: -471.106 Base-Backbone interact. energy: 1.308 local terms energy: -494.464433 where: bonds (distance) C4'-P energy: -107.194 bonds (distance) P-C4' energy: -137.645 flat angles C4'-P-C4' energy: -108.271 flat angles P-C4'-P energy: -69.749 tors. eta vs tors. theta energy: -71.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3101.805612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.805612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.805612 (E_RNA) where: Base-Base interactions energy: -2222.389 where: short stacking energy: -939.853 Base-Backbone interact. energy: -2.310 local terms energy: -877.106663 where: bonds (distance) C4'-P energy: -158.223 bonds (distance) P-C4' energy: -164.228 flat angles C4'-P-C4' energy: -180.919 flat angles P-C4'-P energy: -123.732 tors. eta vs tors. theta energy: -250.004 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: 229 Temperature: 0.950000 Total energy: -2944.357868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.357868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.357868 (E_RNA) where: Base-Base interactions energy: -2080.617 where: short stacking energy: -910.532 Base-Backbone interact. energy: -3.940 local terms energy: -859.800897 where: bonds (distance) C4'-P energy: -138.626 bonds (distance) P-C4' energy: -155.427 flat angles C4'-P-C4' energy: -186.322 flat angles P-C4'-P energy: -130.718 tors. eta vs tors. theta energy: -248.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2873.150039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.150039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.150039 (E_RNA) where: Base-Base interactions energy: -2045.949 where: short stacking energy: -873.971 Base-Backbone interact. energy: 1.014 local terms energy: -828.214413 where: bonds (distance) C4'-P energy: -141.681 bonds (distance) P-C4' energy: -157.342 flat angles C4'-P-C4' energy: -182.752 flat angles P-C4'-P energy: -128.001 tors. eta vs tors. theta energy: -218.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2739.688425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.688425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.688425 (E_RNA) where: Base-Base interactions energy: -1939.287 where: short stacking energy: -784.995 Base-Backbone interact. energy: -3.448 local terms energy: -796.954261 where: bonds (distance) C4'-P energy: -144.873 bonds (distance) P-C4' energy: -150.849 flat angles C4'-P-C4' energy: -176.639 flat angles P-C4'-P energy: -128.674 tors. eta vs tors. theta energy: -195.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2553.057713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.057713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.057713 (E_RNA) where: Base-Base interactions energy: -1827.597 where: short stacking energy: -768.226 Base-Backbone interact. energy: -5.124 local terms energy: -720.337563 where: bonds (distance) C4'-P energy: -138.057 bonds (distance) P-C4' energy: -116.741 flat angles C4'-P-C4' energy: -167.730 flat angles P-C4'-P energy: -97.599 tors. eta vs tors. theta energy: -200.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2335.218616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.218616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.218616 (E_RNA) where: Base-Base interactions energy: -1630.145 where: short stacking energy: -688.553 Base-Backbone interact. energy: -4.030 local terms energy: -701.043269 where: bonds (distance) C4'-P energy: -143.424 bonds (distance) P-C4' energy: -140.880 flat angles C4'-P-C4' energy: -155.920 flat angles P-C4'-P energy: -92.541 tors. eta vs tors. theta energy: -168.277 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: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -2033.942112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.942112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.942112 (E_RNA) where: Base-Base interactions energy: -1398.454 where: short stacking energy: -596.818 Base-Backbone interact. energy: -2.850 local terms energy: -632.638119 where: bonds (distance) C4'-P energy: -140.316 bonds (distance) P-C4' energy: -115.490 flat angles C4'-P-C4' energy: -148.318 flat angles P-C4'-P energy: -80.031 tors. eta vs tors. theta energy: -148.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -2011.602839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.602839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.602839 (E_RNA) where: Base-Base interactions energy: -1423.539 where: short stacking energy: -598.681 Base-Backbone interact. energy: 1.372 local terms energy: -589.435968 where: bonds (distance) C4'-P energy: -127.440 bonds (distance) P-C4' energy: -122.291 flat angles C4'-P-C4' energy: -131.733 flat angles P-C4'-P energy: -88.488 tors. eta vs tors. theta energy: -119.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1637.211182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.211182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.211182 (E_RNA) where: Base-Base interactions energy: -1085.085 where: short stacking energy: -466.704 Base-Backbone interact. energy: 4.448 local terms energy: -556.574464 where: bonds (distance) C4'-P energy: -123.933 bonds (distance) P-C4' energy: -135.544 flat angles C4'-P-C4' energy: -125.380 flat angles P-C4'-P energy: -83.396 tors. eta vs tors. theta energy: -88.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1582.657083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.657083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.657083 (E_RNA) where: Base-Base interactions energy: -1028.582 where: short stacking energy: -457.816 Base-Backbone interact. energy: -3.720 local terms energy: -550.355538 where: bonds (distance) C4'-P energy: -128.662 bonds (distance) P-C4' energy: -140.556 flat angles C4'-P-C4' energy: -128.605 flat angles P-C4'-P energy: -72.954 tors. eta vs tors. theta energy: -79.578 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: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -3054.255126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.255126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.255126 (E_RNA) where: Base-Base interactions energy: -2173.792 where: short stacking energy: -930.982 Base-Backbone interact. energy: -2.457 local terms energy: -878.006036 where: bonds (distance) C4'-P energy: -154.789 bonds (distance) P-C4' energy: -172.641 flat angles C4'-P-C4' energy: -181.926 flat angles P-C4'-P energy: -125.448 tors. eta vs tors. theta energy: -243.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2924.401494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.401494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.401494 (E_RNA) where: Base-Base interactions energy: -2078.617 where: short stacking energy: -877.666 Base-Backbone interact. energy: 5.234 local terms energy: -851.019045 where: bonds (distance) C4'-P energy: -161.805 bonds (distance) P-C4' energy: -155.032 flat angles C4'-P-C4' energy: -174.796 flat angles P-C4'-P energy: -124.936 tors. eta vs tors. theta energy: -234.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2850.587434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.587434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.587434 (E_RNA) where: Base-Base interactions energy: -2053.372 where: short stacking energy: -862.141 Base-Backbone interact. energy: -2.383 local terms energy: -794.832469 where: bonds (distance) C4'-P energy: -156.257 bonds (distance) P-C4' energy: -144.688 flat angles C4'-P-C4' energy: -169.269 flat angles P-C4'-P energy: -109.687 tors. eta vs tors. theta energy: -214.932 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: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2709.110151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.110151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.110151 (E_RNA) where: Base-Base interactions energy: -1937.094 where: short stacking energy: -754.970 Base-Backbone interact. energy: -0.375 local terms energy: -771.641965 where: bonds (distance) C4'-P energy: -137.653 bonds (distance) P-C4' energy: -155.881 flat angles C4'-P-C4' energy: -164.767 flat angles P-C4'-P energy: -116.390 tors. eta vs tors. theta energy: -196.952 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: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2557.078260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.078260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.078260 (E_RNA) where: Base-Base interactions energy: -1805.014 where: short stacking energy: -762.620 Base-Backbone interact. energy: -0.471 local terms energy: -751.593168 where: bonds (distance) C4'-P energy: -122.536 bonds (distance) P-C4' energy: -141.335 flat angles C4'-P-C4' energy: -173.844 flat angles P-C4'-P energy: -105.741 tors. eta vs tors. theta energy: -208.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2348.511468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.511468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.511468 (E_RNA) where: Base-Base interactions energy: -1630.093 where: short stacking energy: -672.758 Base-Backbone interact. energy: -6.660 local terms energy: -711.757556 where: bonds (distance) C4'-P energy: -128.680 bonds (distance) P-C4' energy: -145.057 flat angles C4'-P-C4' energy: -164.068 flat angles P-C4'-P energy: -106.535 tors. eta vs tors. theta energy: -167.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2080.222994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.222994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.222994 (E_RNA) where: Base-Base interactions energy: -1454.312 where: short stacking energy: -654.733 Base-Backbone interact. energy: -2.455 local terms energy: -623.455141 where: bonds (distance) C4'-P energy: -123.896 bonds (distance) P-C4' energy: -134.277 flat angles C4'-P-C4' energy: -146.340 flat angles P-C4'-P energy: -91.051 tors. eta vs tors. theta energy: -127.891 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: 4 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -2045.762729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.762729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.762729 (E_RNA) where: Base-Base interactions energy: -1402.734 where: short stacking energy: -613.737 Base-Backbone interact. energy: 1.329 local terms energy: -644.357634 where: bonds (distance) C4'-P energy: -109.727 bonds (distance) P-C4' energy: -146.712 flat angles C4'-P-C4' energy: -139.408 flat angles P-C4'-P energy: -86.987 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: 9, replica: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1717.655804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.655804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.655804 (E_RNA) where: Base-Base interactions energy: -1186.073 where: short stacking energy: -502.694 Base-Backbone interact. energy: 2.469 local terms energy: -534.051955 where: bonds (distance) C4'-P energy: -125.439 bonds (distance) P-C4' energy: -112.841 flat angles C4'-P-C4' energy: -131.380 flat angles P-C4'-P energy: -73.931 tors. eta vs tors. theta energy: -90.461 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: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1501.041487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.041487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.041487 (E_RNA) where: Base-Base interactions energy: -1011.442 where: short stacking energy: -429.285 Base-Backbone interact. energy: 8.544 local terms energy: -498.143387 where: bonds (distance) C4'-P energy: -107.767 bonds (distance) P-C4' energy: -135.837 flat angles C4'-P-C4' energy: -124.388 flat angles P-C4'-P energy: -74.914 tors. eta vs tors. theta energy: -55.237 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: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3047.169536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.169536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.169536 (E_RNA) where: Base-Base interactions energy: -2170.922 where: short stacking energy: -920.565 Base-Backbone interact. energy: -2.197 local terms energy: -874.050442 where: bonds (distance) C4'-P energy: -170.507 bonds (distance) P-C4' energy: -164.674 flat angles C4'-P-C4' energy: -183.296 flat angles P-C4'-P energy: -113.798 tors. eta vs tors. theta energy: -241.776 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: 1 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2930.852622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.852622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.852622 (E_RNA) where: Base-Base interactions energy: -2069.963 where: short stacking energy: -873.789 Base-Backbone interact. energy: -1.316 local terms energy: -859.574113 where: bonds (distance) C4'-P energy: -170.699 bonds (distance) P-C4' energy: -152.088 flat angles C4'-P-C4' energy: -176.413 flat angles P-C4'-P energy: -119.545 tors. eta vs tors. theta energy: -240.829 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: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2870.472019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.472019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.472019 (E_RNA) where: Base-Base interactions energy: -2058.101 where: short stacking energy: -872.598 Base-Backbone interact. energy: -2.626 local terms energy: -809.745670 where: bonds (distance) C4'-P energy: -138.529 bonds (distance) P-C4' energy: -153.527 flat angles C4'-P-C4' energy: -185.259 flat angles P-C4'-P energy: -116.524 tors. eta vs tors. theta energy: -215.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2681.406544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.406544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.406544 (E_RNA) where: Base-Base interactions energy: -1935.291 where: short stacking energy: -774.621 Base-Backbone interact. energy: -2.246 local terms energy: -743.869135 where: bonds (distance) C4'-P energy: -139.613 bonds (distance) P-C4' energy: -147.631 flat angles C4'-P-C4' energy: -175.309 flat angles P-C4'-P energy: -88.169 tors. eta vs tors. theta energy: -193.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2566.589303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.589303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.589303 (E_RNA) where: Base-Base interactions energy: -1815.723 where: short stacking energy: -773.429 Base-Backbone interact. energy: -0.668 local terms energy: -750.197862 where: bonds (distance) C4'-P energy: -143.271 bonds (distance) P-C4' energy: -145.371 flat angles C4'-P-C4' energy: -161.137 flat angles P-C4'-P energy: -91.606 tors. eta vs tors. theta energy: -208.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2322.260136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.260136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.260136 (E_RNA) where: Base-Base interactions energy: -1632.775 where: short stacking energy: -686.625 Base-Backbone interact. energy: -3.209 local terms energy: -686.275826 where: bonds (distance) C4'-P energy: -142.937 bonds (distance) P-C4' energy: -141.295 flat angles C4'-P-C4' energy: -150.539 flat angles P-C4'-P energy: -85.150 tors. eta vs tors. theta energy: -166.354 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: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -2136.009194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.009194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.009194 (E_RNA) where: Base-Base interactions energy: -1466.980 where: short stacking energy: -658.134 Base-Backbone interact. energy: 4.429 local terms energy: -673.457797 where: bonds (distance) C4'-P energy: -132.527 bonds (distance) P-C4' energy: -149.252 flat angles C4'-P-C4' energy: -150.595 flat angles P-C4'-P energy: -94.586 tors. eta vs tors. theta energy: -146.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -2001.676055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.676055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.676055 (E_RNA) where: Base-Base interactions energy: -1387.200 where: short stacking energy: -627.448 Base-Backbone interact. energy: 2.683 local terms energy: -617.158678 where: bonds (distance) C4'-P energy: -134.153 bonds (distance) P-C4' energy: -132.751 flat angles C4'-P-C4' energy: -144.171 flat angles P-C4'-P energy: -65.084 tors. eta vs tors. theta energy: -140.999 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: 9, replica: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1742.816628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.816628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.816628 (E_RNA) where: Base-Base interactions energy: -1173.228 where: short stacking energy: -476.342 Base-Backbone interact. energy: -0.994 local terms energy: -568.594752 where: bonds (distance) C4'-P energy: -112.005 bonds (distance) P-C4' energy: -142.586 flat angles C4'-P-C4' energy: -146.247 flat angles P-C4'-P energy: -77.744 tors. eta vs tors. theta energy: -90.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1505.426379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.426379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.426379 (E_RNA) where: Base-Base interactions energy: -993.948 where: short stacking energy: -422.053 Base-Backbone interact. energy: 8.745 local terms energy: -520.224159 where: bonds (distance) C4'-P energy: -124.273 bonds (distance) P-C4' energy: -126.951 flat angles C4'-P-C4' energy: -133.878 flat angles P-C4'-P energy: -74.242 tors. eta vs tors. theta energy: -60.880 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: 7 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3038.333233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.333233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.333233 (E_RNA) where: Base-Base interactions energy: -2154.149 where: short stacking energy: -909.856 Base-Backbone interact. energy: -4.546 local terms energy: -879.637659 where: bonds (distance) C4'-P energy: -157.886 bonds (distance) P-C4' energy: -171.245 flat angles C4'-P-C4' energy: -171.672 flat angles P-C4'-P energy: -127.388 tors. eta vs tors. theta energy: -251.446 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: 1 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2919.660531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.660531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.660531 (E_RNA) where: Base-Base interactions energy: -2084.757 where: short stacking energy: -869.244 Base-Backbone interact. energy: -0.947 local terms energy: -833.956609 where: bonds (distance) C4'-P energy: -150.580 bonds (distance) P-C4' energy: -151.488 flat angles C4'-P-C4' energy: -186.093 flat angles P-C4'-P energy: -114.232 tors. eta vs tors. theta energy: -231.565 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: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2846.288488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.288488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.288488 (E_RNA) where: Base-Base interactions energy: -2031.589 where: short stacking energy: -843.000 Base-Backbone interact. energy: -0.826 local terms energy: -813.874099 where: bonds (distance) C4'-P energy: -144.252 bonds (distance) P-C4' energy: -153.817 flat angles C4'-P-C4' energy: -182.263 flat angles P-C4'-P energy: -112.887 tors. eta vs tors. theta energy: -220.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2733.213171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.213171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.213171 (E_RNA) where: Base-Base interactions energy: -1981.086 where: short stacking energy: -797.238 Base-Backbone interact. energy: 1.382 local terms energy: -753.509005 where: bonds (distance) C4'-P energy: -161.049 bonds (distance) P-C4' energy: -126.660 flat angles C4'-P-C4' energy: -170.190 flat angles P-C4'-P energy: -97.167 tors. eta vs tors. theta energy: -198.442 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: 232 Temperature: 1.100000 Total energy: -2554.026234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.026234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.026234 (E_RNA) where: Base-Base interactions energy: -1840.497 where: short stacking energy: -785.067 Base-Backbone interact. energy: 1.163 local terms energy: -714.692182 where: bonds (distance) C4'-P energy: -128.923 bonds (distance) P-C4' energy: -125.581 flat angles C4'-P-C4' energy: -137.568 flat angles P-C4'-P energy: -122.304 tors. eta vs tors. theta energy: -200.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2385.639184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.639184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.639184 (E_RNA) where: Base-Base interactions energy: -1702.472 where: short stacking energy: -733.285 Base-Backbone interact. energy: -1.882 local terms energy: -681.284739 where: bonds (distance) C4'-P energy: -116.240 bonds (distance) P-C4' energy: -138.570 flat angles C4'-P-C4' energy: -163.949 flat angles P-C4'-P energy: -75.857 tors. eta vs tors. theta energy: -186.668 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: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -2153.956892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.956892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.956892 (E_RNA) where: Base-Base interactions energy: -1476.930 where: short stacking energy: -635.647 Base-Backbone interact. energy: -4.179 local terms energy: -672.848494 where: bonds (distance) C4'-P energy: -133.299 bonds (distance) P-C4' energy: -149.009 flat angles C4'-P-C4' energy: -139.456 flat angles P-C4'-P energy: -98.317 tors. eta vs tors. theta energy: -152.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -2049.743517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.743517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.743517 (E_RNA) where: Base-Base interactions energy: -1398.701 where: short stacking energy: -609.762 Base-Backbone interact. energy: -3.069 local terms energy: -647.973820 where: bonds (distance) C4'-P energy: -126.264 bonds (distance) P-C4' energy: -131.994 flat angles C4'-P-C4' energy: -140.203 flat angles P-C4'-P energy: -82.322 tors. eta vs tors. theta energy: -167.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1670.617847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.617847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.617847 (E_RNA) where: Base-Base interactions energy: -1085.834 where: short stacking energy: -487.340 Base-Backbone interact. energy: -1.709 local terms energy: -583.074829 where: bonds (distance) C4'-P energy: -119.498 bonds (distance) P-C4' energy: -155.482 flat angles C4'-P-C4' energy: -133.314 flat angles P-C4'-P energy: -82.955 tors. eta vs tors. theta energy: -91.826 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: 6 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1535.421659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.421659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.421659 (E_RNA) where: Base-Base interactions energy: -1006.278 where: short stacking energy: -452.839 Base-Backbone interact. energy: -0.258 local terms energy: -528.885467 where: bonds (distance) C4'-P energy: -120.883 bonds (distance) P-C4' energy: -136.406 flat angles C4'-P-C4' energy: -123.463 flat angles P-C4'-P energy: -73.938 tors. eta vs tors. theta energy: -74.196 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: 7 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3032.127250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.127250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.127250 (E_RNA) where: Base-Base interactions energy: -2153.551 where: short stacking energy: -934.366 Base-Backbone interact. energy: -4.299 local terms energy: -874.277075 where: bonds (distance) C4'-P energy: -133.973 bonds (distance) P-C4' energy: -164.011 flat angles C4'-P-C4' energy: -198.045 flat angles P-C4'-P energy: -134.826 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: 233 Temperature: 0.950000 Total energy: -2906.043832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.043832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.043832 (E_RNA) where: Base-Base interactions energy: -2071.136 where: short stacking energy: -859.869 Base-Backbone interact. energy: -4.373 local terms energy: -830.535002 where: bonds (distance) C4'-P energy: -143.963 bonds (distance) P-C4' energy: -147.570 flat angles C4'-P-C4' energy: -170.957 flat angles P-C4'-P energy: -128.925 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: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2824.291812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.291812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.291812 (E_RNA) where: Base-Base interactions energy: -2034.957 where: short stacking energy: -851.500 Base-Backbone interact. energy: -4.552 local terms energy: -784.782384 where: bonds (distance) C4'-P energy: -132.632 bonds (distance) P-C4' energy: -149.044 flat angles C4'-P-C4' energy: -176.332 flat angles P-C4'-P energy: -113.081 tors. eta vs tors. theta energy: -213.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2762.808421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.808421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.808421 (E_RNA) where: Base-Base interactions energy: -1987.410 where: short stacking energy: -803.856 Base-Backbone interact. energy: 0.947 local terms energy: -776.345621 where: bonds (distance) C4'-P energy: -146.707 bonds (distance) P-C4' energy: -145.528 flat angles C4'-P-C4' energy: -167.118 flat angles P-C4'-P energy: -114.022 tors. eta vs tors. theta energy: -202.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2542.809405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.809405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.809405 (E_RNA) where: Base-Base interactions energy: -1812.166 where: short stacking energy: -760.514 Base-Backbone interact. energy: -2.552 local terms energy: -728.091836 where: bonds (distance) C4'-P energy: -133.711 bonds (distance) P-C4' energy: -142.197 flat angles C4'-P-C4' energy: -163.346 flat angles P-C4'-P energy: -93.073 tors. eta vs tors. theta energy: -195.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2332.367763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.367763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.367763 (E_RNA) where: Base-Base interactions energy: -1624.747 where: short stacking energy: -690.927 Base-Backbone interact. energy: 2.349 local terms energy: -709.970231 where: bonds (distance) C4'-P energy: -141.946 bonds (distance) P-C4' energy: -141.712 flat angles C4'-P-C4' energy: -166.403 flat angles P-C4'-P energy: -100.896 tors. eta vs tors. theta energy: -159.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2039.434291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.434291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.434291 (E_RNA) where: Base-Base interactions energy: -1401.292 where: short stacking energy: -618.291 Base-Backbone interact. energy: -1.327 local terms energy: -636.815518 where: bonds (distance) C4'-P energy: -127.986 bonds (distance) P-C4' energy: -138.030 flat angles C4'-P-C4' energy: -158.691 flat angles P-C4'-P energy: -80.235 tors. eta vs tors. theta energy: -131.874 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: 8, replica: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -2030.627797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.627797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.627797 (E_RNA) where: Base-Base interactions energy: -1411.272 where: short stacking energy: -607.137 Base-Backbone interact. energy: -1.211 local terms energy: -618.144791 where: bonds (distance) C4'-P energy: -119.845 bonds (distance) P-C4' energy: -115.090 flat angles C4'-P-C4' energy: -137.421 flat angles P-C4'-P energy: -93.952 tors. eta vs tors. theta energy: -151.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1623.530310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.530310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.530310 (E_RNA) where: Base-Base interactions energy: -1072.946 where: short stacking energy: -471.325 Base-Backbone interact. energy: -0.244 local terms energy: -550.341038 where: bonds (distance) C4'-P energy: -116.115 bonds (distance) P-C4' energy: -122.964 flat angles C4'-P-C4' energy: -132.325 flat angles P-C4'-P energy: -93.526 tors. eta vs tors. theta energy: -85.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1526.805040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.805040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.805040 (E_RNA) where: Base-Base interactions energy: -1046.003 where: short stacking energy: -450.338 Base-Backbone interact. energy: -2.696 local terms energy: -478.106465 where: bonds (distance) C4'-P energy: -102.708 bonds (distance) P-C4' energy: -108.067 flat angles C4'-P-C4' energy: -137.067 flat angles P-C4'-P energy: -75.809 tors. eta vs tors. theta energy: -54.455 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: 7 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3047.869582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.869582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.869582 (E_RNA) where: Base-Base interactions energy: -2170.229 where: short stacking energy: -916.424 Base-Backbone interact. energy: 2.856 local terms energy: -880.496555 where: bonds (distance) C4'-P energy: -158.614 bonds (distance) P-C4' energy: -166.770 flat angles C4'-P-C4' energy: -190.446 flat angles P-C4'-P energy: -125.763 tors. eta vs tors. theta energy: -238.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2896.941164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.941164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.941164 (E_RNA) where: Base-Base interactions energy: -2062.853 where: short stacking energy: -866.140 Base-Backbone interact. energy: -2.808 local terms energy: -831.280190 where: bonds (distance) C4'-P energy: -141.824 bonds (distance) P-C4' energy: -139.875 flat angles C4'-P-C4' energy: -187.185 flat angles P-C4'-P energy: -122.096 tors. eta vs tors. theta energy: -240.300 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: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2848.086426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.086426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.086426 (E_RNA) where: Base-Base interactions energy: -2059.098 where: short stacking energy: -876.628 Base-Backbone interact. energy: 0.255 local terms energy: -789.242825 where: bonds (distance) C4'-P energy: -130.305 bonds (distance) P-C4' energy: -138.845 flat angles C4'-P-C4' energy: -178.329 flat angles P-C4'-P energy: -118.555 tors. eta vs tors. theta energy: -223.209 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: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2687.758022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.758022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.758022 (E_RNA) where: Base-Base interactions energy: -1932.702 where: short stacking energy: -804.358 Base-Backbone interact. energy: -4.735 local terms energy: -750.320872 where: bonds (distance) C4'-P energy: -144.775 bonds (distance) P-C4' energy: -141.300 flat angles C4'-P-C4' energy: -162.750 flat angles P-C4'-P energy: -95.857 tors. eta vs tors. theta energy: -205.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2568.240206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.240206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.240206 (E_RNA) where: Base-Base interactions energy: -1795.437 where: short stacking energy: -780.009 Base-Backbone interact. energy: -4.592 local terms energy: -768.210824 where: bonds (distance) C4'-P energy: -142.636 bonds (distance) P-C4' energy: -157.096 flat angles C4'-P-C4' energy: -162.760 flat angles P-C4'-P energy: -94.094 tors. eta vs tors. theta energy: -211.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2337.183190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.183190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.183190 (E_RNA) where: Base-Base interactions energy: -1651.366 where: short stacking energy: -692.923 Base-Backbone interact. energy: -2.655 local terms energy: -683.162926 where: bonds (distance) C4'-P energy: -116.458 bonds (distance) P-C4' energy: -150.252 flat angles C4'-P-C4' energy: -162.345 flat angles P-C4'-P energy: -90.041 tors. eta vs tors. theta energy: -164.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2100.242953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.242953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.242953 (E_RNA) where: Base-Base interactions energy: -1487.976 where: short stacking energy: -613.673 Base-Backbone interact. energy: 7.188 local terms energy: -619.454895 where: bonds (distance) C4'-P energy: -125.588 bonds (distance) P-C4' energy: -123.594 flat angles C4'-P-C4' energy: -144.989 flat angles P-C4'-P energy: -72.674 tors. eta vs tors. theta energy: -152.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1980.602764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.602764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.602764 (E_RNA) where: Base-Base interactions energy: -1315.429 where: short stacking energy: -574.650 Base-Backbone interact. energy: 1.246 local terms energy: -666.419932 where: bonds (distance) C4'-P energy: -130.646 bonds (distance) P-C4' energy: -147.564 flat angles C4'-P-C4' energy: -150.717 flat angles P-C4'-P energy: -102.536 tors. eta vs tors. theta energy: -134.957 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: 5 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1647.453053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.453053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.453053 (E_RNA) where: Base-Base interactions energy: -1116.088 where: short stacking energy: -498.738 Base-Backbone interact. energy: -0.370 local terms energy: -530.995189 where: bonds (distance) C4'-P energy: -126.354 bonds (distance) P-C4' energy: -114.098 flat angles C4'-P-C4' energy: -125.945 flat angles P-C4'-P energy: -76.675 tors. eta vs tors. theta energy: -87.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1676.267266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.267266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.267266 (E_RNA) where: Base-Base interactions energy: -1152.998 where: short stacking energy: -501.809 Base-Backbone interact. energy: 2.879 local terms energy: -526.148805 where: bonds (distance) C4'-P energy: -107.103 bonds (distance) P-C4' energy: -120.084 flat angles C4'-P-C4' energy: -123.054 flat angles P-C4'-P energy: -88.348 tors. eta vs tors. theta energy: -87.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3046.042392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.042392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.042392 (E_RNA) where: Base-Base interactions energy: -2178.201 where: short stacking energy: -925.564 Base-Backbone interact. energy: -3.787 local terms energy: -864.053566 where: bonds (distance) C4'-P energy: -140.620 bonds (distance) P-C4' energy: -160.491 flat angles C4'-P-C4' energy: -191.838 flat angles P-C4'-P energy: -130.938 tors. eta vs tors. theta energy: -240.166 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: 1 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2940.250863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.250863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.250863 (E_RNA) where: Base-Base interactions energy: -2097.616 where: short stacking energy: -908.548 Base-Backbone interact. energy: -2.470 local terms energy: -840.164921 where: bonds (distance) C4'-P energy: -139.028 bonds (distance) P-C4' energy: -153.397 flat angles C4'-P-C4' energy: -173.931 flat angles P-C4'-P energy: -117.057 tors. eta vs tors. theta energy: -256.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2854.859206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.859206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.859206 (E_RNA) where: Base-Base interactions energy: -2045.021 where: short stacking energy: -852.241 Base-Backbone interact. energy: -1.305 local terms energy: -808.533584 where: bonds (distance) C4'-P energy: -158.634 bonds (distance) P-C4' energy: -144.772 flat angles C4'-P-C4' energy: -165.914 flat angles P-C4'-P energy: -126.181 tors. eta vs tors. theta energy: -213.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2685.360997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.360997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.360997 (E_RNA) where: Base-Base interactions energy: -1911.751 where: short stacking energy: -774.141 Base-Backbone interact. energy: -2.397 local terms energy: -771.212947 where: bonds (distance) C4'-P energy: -142.137 bonds (distance) P-C4' energy: -156.147 flat angles C4'-P-C4' energy: -172.746 flat angles P-C4'-P energy: -99.450 tors. eta vs tors. theta energy: -200.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2562.380523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.380523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.380523 (E_RNA) where: Base-Base interactions energy: -1812.702 where: short stacking energy: -778.784 Base-Backbone interact. energy: -2.378 local terms energy: -747.300497 where: bonds (distance) C4'-P energy: -135.389 bonds (distance) P-C4' energy: -118.754 flat angles C4'-P-C4' energy: -177.217 flat angles P-C4'-P energy: -117.730 tors. eta vs tors. theta energy: -198.212 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: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2341.557882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.557882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.557882 (E_RNA) where: Base-Base interactions energy: -1639.029 where: short stacking energy: -667.279 Base-Backbone interact. energy: -0.306 local terms energy: -702.222742 where: bonds (distance) C4'-P energy: -150.614 bonds (distance) P-C4' energy: -134.515 flat angles C4'-P-C4' energy: -151.296 flat angles P-C4'-P energy: -102.982 tors. eta vs tors. theta energy: -162.815 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: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2087.798293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.798293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.798293 (E_RNA) where: Base-Base interactions energy: -1424.347 where: short stacking energy: -616.628 Base-Backbone interact. energy: -2.161 local terms energy: -661.290358 where: bonds (distance) C4'-P energy: -128.710 bonds (distance) P-C4' energy: -145.595 flat angles C4'-P-C4' energy: -151.505 flat angles P-C4'-P energy: -84.937 tors. eta vs tors. theta energy: -150.543 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: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1975.887289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.887289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.887289 (E_RNA) where: Base-Base interactions energy: -1345.206 where: short stacking energy: -549.718 Base-Backbone interact. energy: 0.792 local terms energy: -631.473010 where: bonds (distance) C4'-P energy: -132.837 bonds (distance) P-C4' energy: -139.798 flat angles C4'-P-C4' energy: -135.459 flat angles P-C4'-P energy: -101.804 tors. eta vs tors. theta energy: -121.576 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: 5 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1671.111671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.111671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.111671 (E_RNA) where: Base-Base interactions energy: -1127.707 where: short stacking energy: -507.910 Base-Backbone interact. energy: 5.443 local terms energy: -548.847969 where: bonds (distance) C4'-P energy: -100.579 bonds (distance) P-C4' energy: -131.078 flat angles C4'-P-C4' energy: -150.157 flat angles P-C4'-P energy: -69.520 tors. eta vs tors. theta energy: -97.513 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: 10, replica: 6 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1838.739083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.739083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.739083 (E_RNA) where: Base-Base interactions energy: -1227.707 where: short stacking energy: -522.283 Base-Backbone interact. energy: 0.145 local terms energy: -611.176477 where: bonds (distance) C4'-P energy: -131.963 bonds (distance) P-C4' energy: -134.138 flat angles C4'-P-C4' energy: -144.284 flat angles P-C4'-P energy: -78.463 tors. eta vs tors. theta energy: -122.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3052.486071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.486071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.486071 (E_RNA) where: Base-Base interactions energy: -2186.345 where: short stacking energy: -918.275 Base-Backbone interact. energy: -4.375 local terms energy: -861.766359 where: bonds (distance) C4'-P energy: -148.759 bonds (distance) P-C4' energy: -155.961 flat angles C4'-P-C4' energy: -186.516 flat angles P-C4'-P energy: -132.636 tors. eta vs tors. theta energy: -237.896 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: 1 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2918.892684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.892684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.892684 (E_RNA) where: Base-Base interactions energy: -2076.065 where: short stacking energy: -912.926 Base-Backbone interact. energy: -2.287 local terms energy: -840.540461 where: bonds (distance) C4'-P energy: -135.515 bonds (distance) P-C4' energy: -167.636 flat angles C4'-P-C4' energy: -168.328 flat angles P-C4'-P energy: -121.889 tors. eta vs tors. theta energy: -247.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2842.544748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.544748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.544748 (E_RNA) where: Base-Base interactions energy: -2018.383 where: short stacking energy: -839.770 Base-Backbone interact. energy: -1.192 local terms energy: -822.970440 where: bonds (distance) C4'-P energy: -147.488 bonds (distance) P-C4' energy: -158.008 flat angles C4'-P-C4' energy: -178.860 flat angles P-C4'-P energy: -125.685 tors. eta vs tors. theta energy: -212.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2674.182643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.182643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.182643 (E_RNA) where: Base-Base interactions energy: -1908.569 where: short stacking energy: -788.764 Base-Backbone interact. energy: -3.123 local terms energy: -762.490299 where: bonds (distance) C4'-P energy: -149.930 bonds (distance) P-C4' energy: -132.679 flat angles C4'-P-C4' energy: -167.796 flat angles P-C4'-P energy: -115.937 tors. eta vs tors. theta energy: -196.149 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: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2536.000994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.000994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.000994 (E_RNA) where: Base-Base interactions energy: -1782.595 where: short stacking energy: -759.018 Base-Backbone interact. energy: -2.701 local terms energy: -750.705185 where: bonds (distance) C4'-P energy: -146.869 bonds (distance) P-C4' energy: -127.330 flat angles C4'-P-C4' energy: -176.769 flat angles P-C4'-P energy: -103.840 tors. eta vs tors. theta energy: -195.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2312.283187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.283187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.283187 (E_RNA) where: Base-Base interactions energy: -1644.265 where: short stacking energy: -682.360 Base-Backbone interact. energy: 1.300 local terms energy: -669.318368 where: bonds (distance) C4'-P energy: -111.952 bonds (distance) P-C4' energy: -138.968 flat angles C4'-P-C4' energy: -162.413 flat angles P-C4'-P energy: -95.936 tors. eta vs tors. theta energy: -160.049 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: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2157.919715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.919715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.919715 (E_RNA) where: Base-Base interactions energy: -1495.244 where: short stacking energy: -648.817 Base-Backbone interact. energy: 2.405 local terms energy: -665.081147 where: bonds (distance) C4'-P energy: -127.181 bonds (distance) P-C4' energy: -130.836 flat angles C4'-P-C4' energy: -154.837 flat angles P-C4'-P energy: -84.138 tors. eta vs tors. theta energy: -168.089 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: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1948.067530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.067530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.067530 (E_RNA) where: Base-Base interactions energy: -1348.932 where: short stacking energy: -601.640 Base-Backbone interact. energy: 10.309 local terms energy: -609.444703 where: bonds (distance) C4'-P energy: -121.738 bonds (distance) P-C4' energy: -135.036 flat angles C4'-P-C4' energy: -145.339 flat angles P-C4'-P energy: -88.781 tors. eta vs tors. theta energy: -118.552 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: 6 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1872.234505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.234505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.234505 (E_RNA) where: Base-Base interactions energy: -1258.642 where: short stacking energy: -544.029 Base-Backbone interact. energy: -3.589 local terms energy: -610.003533 where: bonds (distance) C4'-P energy: -128.919 bonds (distance) P-C4' energy: -142.517 flat angles C4'-P-C4' energy: -126.000 flat angles P-C4'-P energy: -91.065 tors. eta vs tors. theta energy: -121.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1677.702416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.702416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.702416 (E_RNA) where: Base-Base interactions energy: -1134.387 where: short stacking energy: -519.846 Base-Backbone interact. energy: -2.987 local terms energy: -540.329026 where: bonds (distance) C4'-P energy: -115.449 bonds (distance) P-C4' energy: -127.339 flat angles C4'-P-C4' energy: -105.004 flat angles P-C4'-P energy: -95.850 tors. eta vs tors. theta energy: -96.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3062.883378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.883378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.883378 (E_RNA) where: Base-Base interactions energy: -2180.271 where: short stacking energy: -920.800 Base-Backbone interact. energy: -3.133 local terms energy: -879.478887 where: bonds (distance) C4'-P energy: -136.463 bonds (distance) P-C4' energy: -173.799 flat angles C4'-P-C4' energy: -193.272 flat angles P-C4'-P energy: -130.614 tors. eta vs tors. theta energy: -245.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2947.237303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.237303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.237303 (E_RNA) where: Base-Base interactions energy: -2094.776 where: short stacking energy: -881.090 Base-Backbone interact. energy: -3.307 local terms energy: -849.154623 where: bonds (distance) C4'-P energy: -146.506 bonds (distance) P-C4' energy: -167.020 flat angles C4'-P-C4' energy: -178.721 flat angles P-C4'-P energy: -112.619 tors. eta vs tors. theta energy: -244.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2861.050417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.050417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.050417 (E_RNA) where: Base-Base interactions energy: -2023.970 where: short stacking energy: -855.438 Base-Backbone interact. energy: -8.342 local terms energy: -828.738762 where: bonds (distance) C4'-P energy: -154.119 bonds (distance) P-C4' energy: -156.147 flat angles C4'-P-C4' energy: -176.779 flat angles P-C4'-P energy: -115.481 tors. eta vs tors. theta energy: -226.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2693.865719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.865719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.865719 (E_RNA) where: Base-Base interactions energy: -1929.207 where: short stacking energy: -790.416 Base-Backbone interact. energy: -4.507 local terms energy: -760.151703 where: bonds (distance) C4'-P energy: -124.761 bonds (distance) P-C4' energy: -151.656 flat angles C4'-P-C4' energy: -173.765 flat angles P-C4'-P energy: -97.146 tors. eta vs tors. theta energy: -212.823 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: 3 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2578.994305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.994305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.994305 (E_RNA) where: Base-Base interactions energy: -1812.188 where: short stacking energy: -771.928 Base-Backbone interact. energy: -2.405 local terms energy: -764.402071 where: bonds (distance) C4'-P energy: -146.222 bonds (distance) P-C4' energy: -147.056 flat angles C4'-P-C4' energy: -169.497 flat angles P-C4'-P energy: -106.851 tors. eta vs tors. theta energy: -194.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2251.171974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.171974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.171974 (E_RNA) where: Base-Base interactions energy: -1586.600 where: short stacking energy: -658.835 Base-Backbone interact. energy: 5.763 local terms energy: -670.334319 where: bonds (distance) C4'-P energy: -133.790 bonds (distance) P-C4' energy: -133.767 flat angles C4'-P-C4' energy: -137.381 flat angles P-C4'-P energy: -98.705 tors. eta vs tors. theta energy: -166.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -2199.217467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.217467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.217467 (E_RNA) where: Base-Base interactions energy: -1568.596 where: short stacking energy: -649.301 Base-Backbone interact. energy: -2.705 local terms energy: -627.916475 where: bonds (distance) C4'-P energy: -126.332 bonds (distance) P-C4' energy: -117.304 flat angles C4'-P-C4' energy: -147.825 flat angles P-C4'-P energy: -98.504 tors. eta vs tors. theta energy: -137.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1990.545756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.545756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.545756 (E_RNA) where: Base-Base interactions energy: -1366.381 where: short stacking energy: -621.072 Base-Backbone interact. energy: 2.998 local terms energy: -627.162686 where: bonds (distance) C4'-P energy: -133.672 bonds (distance) P-C4' energy: -127.582 flat angles C4'-P-C4' energy: -148.767 flat angles P-C4'-P energy: -92.162 tors. eta vs tors. theta energy: -124.980 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: 6 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1850.211411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.211411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.211411 (E_RNA) where: Base-Base interactions energy: -1270.116 where: short stacking energy: -550.037 Base-Backbone interact. energy: -2.592 local terms energy: -577.503624 where: bonds (distance) C4'-P energy: -111.381 bonds (distance) P-C4' energy: -128.208 flat angles C4'-P-C4' energy: -136.254 flat angles P-C4'-P energy: -88.908 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: 10, replica: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1579.500302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.500302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.500302 (E_RNA) where: Base-Base interactions energy: -1068.712 where: short stacking energy: -499.081 Base-Backbone interact. energy: 3.574 local terms energy: -514.362009 where: bonds (distance) C4'-P energy: -105.167 bonds (distance) P-C4' energy: -122.682 flat angles C4'-P-C4' energy: -132.336 flat angles P-C4'-P energy: -64.313 tors. eta vs tors. theta energy: -89.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3034.380042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.380042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.380042 (E_RNA) where: Base-Base interactions energy: -2118.093 where: short stacking energy: -929.037 Base-Backbone interact. energy: -3.286 local terms energy: -913.001206 where: bonds (distance) C4'-P energy: -169.149 bonds (distance) P-C4' energy: -171.696 flat angles C4'-P-C4' energy: -181.579 flat angles P-C4'-P energy: -140.597 tors. eta vs tors. theta energy: -249.980 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: 238 Temperature: 0.950000 Total energy: -2942.238880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.238880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.238880 (E_RNA) where: Base-Base interactions energy: -2086.384 where: short stacking energy: -886.734 Base-Backbone interact. energy: -1.727 local terms energy: -854.128078 where: bonds (distance) C4'-P energy: -155.876 bonds (distance) P-C4' energy: -145.228 flat angles C4'-P-C4' energy: -188.881 flat angles P-C4'-P energy: -117.778 tors. eta vs tors. theta energy: -246.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2863.041906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.041906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.041906 (E_RNA) where: Base-Base interactions energy: -2023.731 where: short stacking energy: -871.150 Base-Backbone interact. energy: -5.606 local terms energy: -833.705055 where: bonds (distance) C4'-P energy: -164.099 bonds (distance) P-C4' energy: -157.630 flat angles C4'-P-C4' energy: -175.579 flat angles P-C4'-P energy: -115.054 tors. eta vs tors. theta energy: -221.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2671.267703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.267703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.267703 (E_RNA) where: Base-Base interactions energy: -1887.424 where: short stacking energy: -772.546 Base-Backbone interact. energy: 4.723 local terms energy: -788.566455 where: bonds (distance) C4'-P energy: -151.874 bonds (distance) P-C4' energy: -155.089 flat angles C4'-P-C4' energy: -162.724 flat angles P-C4'-P energy: -114.619 tors. eta vs tors. theta energy: -204.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2608.716119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.716119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.716119 (E_RNA) where: Base-Base interactions energy: -1839.074 where: short stacking energy: -764.866 Base-Backbone interact. energy: -1.545 local terms energy: -768.097066 where: bonds (distance) C4'-P energy: -132.512 bonds (distance) P-C4' energy: -149.934 flat angles C4'-P-C4' energy: -166.669 flat angles P-C4'-P energy: -107.441 tors. eta vs tors. theta energy: -211.541 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: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2274.975045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.975045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.975045 (E_RNA) where: Base-Base interactions energy: -1589.916 where: short stacking energy: -684.534 Base-Backbone interact. energy: -2.526 local terms energy: -682.532857 where: bonds (distance) C4'-P energy: -128.058 bonds (distance) P-C4' energy: -142.927 flat angles C4'-P-C4' energy: -151.243 flat angles P-C4'-P energy: -90.725 tors. eta vs tors. theta energy: -169.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2217.670914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.670914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.670914 (E_RNA) where: Base-Base interactions energy: -1540.775 where: short stacking energy: -673.041 Base-Backbone interact. energy: 2.172 local terms energy: -679.067667 where: bonds (distance) C4'-P energy: -131.399 bonds (distance) P-C4' energy: -130.893 flat angles C4'-P-C4' energy: -164.906 flat angles P-C4'-P energy: -107.028 tors. eta vs tors. theta energy: -144.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1993.048686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.048686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.048686 (E_RNA) where: Base-Base interactions energy: -1366.419 where: short stacking energy: -573.560 Base-Backbone interact. energy: 0.123 local terms energy: -626.752229 where: bonds (distance) C4'-P energy: -124.905 bonds (distance) P-C4' energy: -139.546 flat angles C4'-P-C4' energy: -152.235 flat angles P-C4'-P energy: -86.340 tors. eta vs tors. theta energy: -123.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1873.803826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.803826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.803826 (E_RNA) where: Base-Base interactions energy: -1240.912 where: short stacking energy: -545.455 Base-Backbone interact. energy: -0.356 local terms energy: -632.535115 where: bonds (distance) C4'-P energy: -118.910 bonds (distance) P-C4' energy: -141.504 flat angles C4'-P-C4' energy: -150.110 flat angles P-C4'-P energy: -84.328 tors. eta vs tors. theta energy: -137.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1562.178852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.178852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.178852 (E_RNA) where: Base-Base interactions energy: -1014.573 where: short stacking energy: -479.256 Base-Backbone interact. energy: 0.342 local terms energy: -547.947660 where: bonds (distance) C4'-P energy: -116.190 bonds (distance) P-C4' energy: -133.125 flat angles C4'-P-C4' energy: -134.193 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -89.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3046.907303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.907303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.907303 (E_RNA) where: Base-Base interactions energy: -2164.891 where: short stacking energy: -913.483 Base-Backbone interact. energy: -0.351 local terms energy: -881.665278 where: bonds (distance) C4'-P energy: -144.267 bonds (distance) P-C4' energy: -175.631 flat angles C4'-P-C4' energy: -188.050 flat angles P-C4'-P energy: -126.735 tors. eta vs tors. theta energy: -246.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2982.418227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.418227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.418227 (E_RNA) where: Base-Base interactions energy: -2115.283 where: short stacking energy: -890.528 Base-Backbone interact. energy: -4.288 local terms energy: -862.847734 where: bonds (distance) C4'-P energy: -149.942 bonds (distance) P-C4' energy: -168.029 flat angles C4'-P-C4' energy: -183.909 flat angles P-C4'-P energy: -114.540 tors. eta vs tors. theta energy: -246.428 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: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2873.273566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.273566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.273566 (E_RNA) where: Base-Base interactions energy: -2024.873 where: short stacking energy: -863.071 Base-Backbone interact. energy: -0.883 local terms energy: -847.517282 where: bonds (distance) C4'-P energy: -146.276 bonds (distance) P-C4' energy: -152.291 flat angles C4'-P-C4' energy: -186.612 flat angles P-C4'-P energy: -135.852 tors. eta vs tors. theta energy: -226.485 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: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2668.420783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.420783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.420783 (E_RNA) where: Base-Base interactions energy: -1900.722 where: short stacking energy: -762.784 Base-Backbone interact. energy: -7.639 local terms energy: -760.059324 where: bonds (distance) C4'-P energy: -141.638 bonds (distance) P-C4' energy: -148.054 flat angles C4'-P-C4' energy: -165.440 flat angles P-C4'-P energy: -99.697 tors. eta vs tors. theta energy: -205.230 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: 5, replica: 3 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2561.953119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.953119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.953119 (E_RNA) where: Base-Base interactions energy: -1836.315 where: short stacking energy: -763.392 Base-Backbone interact. energy: 3.114 local terms energy: -728.752276 where: bonds (distance) C4'-P energy: -117.801 bonds (distance) P-C4' energy: -150.770 flat angles C4'-P-C4' energy: -170.969 flat angles P-C4'-P energy: -96.830 tors. eta vs tors. theta energy: -192.382 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: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2282.620790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.620790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.620790 (E_RNA) where: Base-Base interactions energy: -1571.019 where: short stacking energy: -697.111 Base-Backbone interact. energy: -0.637 local terms energy: -710.964936 where: bonds (distance) C4'-P energy: -132.520 bonds (distance) P-C4' energy: -137.337 flat angles C4'-P-C4' energy: -163.788 flat angles P-C4'-P energy: -99.437 tors. eta vs tors. theta energy: -177.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2237.741223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.741223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.741223 (E_RNA) where: Base-Base interactions energy: -1554.030 where: short stacking energy: -652.093 Base-Backbone interact. energy: -4.545 local terms energy: -679.165871 where: bonds (distance) C4'-P energy: -126.539 bonds (distance) P-C4' energy: -139.501 flat angles C4'-P-C4' energy: -150.325 flat angles P-C4'-P energy: -106.748 tors. eta vs tors. theta energy: -156.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1978.696836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.696836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.696836 (E_RNA) where: Base-Base interactions energy: -1361.416 where: short stacking energy: -602.487 Base-Backbone interact. energy: 6.320 local terms energy: -623.600586 where: bonds (distance) C4'-P energy: -137.946 bonds (distance) P-C4' energy: -135.938 flat angles C4'-P-C4' energy: -128.057 flat angles P-C4'-P energy: -74.848 tors. eta vs tors. theta energy: -146.812 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: 9, replica: 6 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1856.168927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.168927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.168927 (E_RNA) where: Base-Base interactions energy: -1260.383 where: short stacking energy: -549.515 Base-Backbone interact. energy: -3.121 local terms energy: -592.664256 where: bonds (distance) C4'-P energy: -124.607 bonds (distance) P-C4' energy: -119.824 flat angles C4'-P-C4' energy: -138.984 flat angles P-C4'-P energy: -81.767 tors. eta vs tors. theta energy: -127.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1571.331132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.331132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.331132 (E_RNA) where: Base-Base interactions energy: -1059.627 where: short stacking energy: -443.970 Base-Backbone interact. energy: -1.823 local terms energy: -509.880460 where: bonds (distance) C4'-P energy: -113.740 bonds (distance) P-C4' energy: -124.609 flat angles C4'-P-C4' energy: -109.153 flat angles P-C4'-P energy: -67.773 tors. eta vs tors. theta energy: -94.606 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: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3076.411696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.411696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.411696 (E_RNA) where: Base-Base interactions energy: -2185.996 where: short stacking energy: -949.399 Base-Backbone interact. energy: -3.214 local terms energy: -887.201687 where: bonds (distance) C4'-P energy: -143.456 bonds (distance) P-C4' energy: -172.234 flat angles C4'-P-C4' energy: -194.182 flat angles P-C4'-P energy: -127.185 tors. eta vs tors. theta energy: -250.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2953.298499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.298499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.298499 (E_RNA) where: Base-Base interactions energy: -2099.053 where: short stacking energy: -899.374 Base-Backbone interact. energy: 0.690 local terms energy: -854.934923 where: bonds (distance) C4'-P energy: -151.476 bonds (distance) P-C4' energy: -149.394 flat angles C4'-P-C4' energy: -180.613 flat angles P-C4'-P energy: -115.015 tors. eta vs tors. theta energy: -258.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2856.779848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.779848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.779848 (E_RNA) where: Base-Base interactions energy: -2044.083 where: short stacking energy: -868.492 Base-Backbone interact. energy: -0.400 local terms energy: -812.296349 where: bonds (distance) C4'-P energy: -135.709 bonds (distance) P-C4' energy: -147.795 flat angles C4'-P-C4' energy: -177.009 flat angles P-C4'-P energy: -134.456 tors. eta vs tors. theta energy: -217.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2678.988696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.988696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.988696 (E_RNA) where: Base-Base interactions energy: -1900.968 where: short stacking energy: -807.394 Base-Backbone interact. energy: 1.149 local terms energy: -779.170081 where: bonds (distance) C4'-P energy: -139.957 bonds (distance) P-C4' energy: -161.279 flat angles C4'-P-C4' energy: -170.486 flat angles P-C4'-P energy: -104.292 tors. eta vs tors. theta energy: -203.155 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: 3 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2568.778814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.778814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.778814 (E_RNA) where: Base-Base interactions energy: -1847.189 where: short stacking energy: -777.733 Base-Backbone interact. energy: 4.708 local terms energy: -726.298235 where: bonds (distance) C4'-P energy: -121.856 bonds (distance) P-C4' energy: -155.712 flat angles C4'-P-C4' energy: -154.481 flat angles P-C4'-P energy: -102.023 tors. eta vs tors. theta energy: -192.226 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: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2290.395198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.395198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.395198 (E_RNA) where: Base-Base interactions energy: -1609.097 where: short stacking energy: -700.355 Base-Backbone interact. energy: 2.011 local terms energy: -683.309632 where: bonds (distance) C4'-P energy: -137.082 bonds (distance) P-C4' energy: -118.745 flat angles C4'-P-C4' energy: -168.047 flat angles P-C4'-P energy: -88.847 tors. eta vs tors. theta energy: -170.589 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: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2187.843213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.843213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.843213 (E_RNA) where: Base-Base interactions energy: -1513.791 where: short stacking energy: -651.045 Base-Backbone interact. energy: -0.523 local terms energy: -673.529937 where: bonds (distance) C4'-P energy: -100.795 bonds (distance) P-C4' energy: -143.370 flat angles C4'-P-C4' energy: -159.648 flat angles P-C4'-P energy: -108.096 tors. eta vs tors. theta energy: -161.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -2007.840056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.840056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.840056 (E_RNA) where: Base-Base interactions energy: -1362.310 where: short stacking energy: -625.818 Base-Backbone interact. energy: -1.673 local terms energy: -643.857736 where: bonds (distance) C4'-P energy: -120.285 bonds (distance) P-C4' energy: -128.204 flat angles C4'-P-C4' energy: -165.335 flat angles P-C4'-P energy: -86.181 tors. eta vs tors. theta energy: -143.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1846.753090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.753090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.753090 (E_RNA) where: Base-Base interactions energy: -1277.591 where: short stacking energy: -573.636 Base-Backbone interact. energy: -1.966 local terms energy: -567.196791 where: bonds (distance) C4'-P energy: -105.648 bonds (distance) P-C4' energy: -126.809 flat angles C4'-P-C4' energy: -132.425 flat angles P-C4'-P energy: -78.182 tors. eta vs tors. theta energy: -124.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1556.892862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.892862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.892862 (E_RNA) where: Base-Base interactions energy: -1054.405 where: short stacking energy: -460.183 Base-Backbone interact. energy: -1.904 local terms energy: -500.584271 where: bonds (distance) C4'-P energy: -107.228 bonds (distance) P-C4' energy: -123.633 flat angles C4'-P-C4' energy: -135.409 flat angles P-C4'-P energy: -53.244 tors. eta vs tors. theta energy: -81.070 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: 1, replica: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3037.190970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.190970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.190970 (E_RNA) where: Base-Base interactions energy: -2131.221 where: short stacking energy: -912.819 Base-Backbone interact. energy: -7.149 local terms energy: -898.820079 where: bonds (distance) C4'-P energy: -165.282 bonds (distance) P-C4' energy: -170.107 flat angles C4'-P-C4' energy: -184.349 flat angles P-C4'-P energy: -125.041 tors. eta vs tors. theta energy: -254.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2936.517460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.517460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.517460 (E_RNA) where: Base-Base interactions energy: -2096.692 where: short stacking energy: -900.008 Base-Backbone interact. energy: -3.288 local terms energy: -836.537361 where: bonds (distance) C4'-P energy: -144.073 bonds (distance) P-C4' energy: -151.610 flat angles C4'-P-C4' energy: -177.240 flat angles P-C4'-P energy: -120.895 tors. eta vs tors. theta energy: -242.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2849.980681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.980681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.980681 (E_RNA) where: Base-Base interactions energy: -2028.305 where: short stacking energy: -876.721 Base-Backbone interact. energy: -7.438 local terms energy: -814.238423 where: bonds (distance) C4'-P energy: -151.519 bonds (distance) P-C4' energy: -142.932 flat angles C4'-P-C4' energy: -176.874 flat angles P-C4'-P energy: -119.376 tors. eta vs tors. theta energy: -223.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2692.076630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.076630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.076630 (E_RNA) where: Base-Base interactions energy: -1899.288 where: short stacking energy: -779.397 Base-Backbone interact. energy: -2.483 local terms energy: -790.305108 where: bonds (distance) C4'-P energy: -151.330 bonds (distance) P-C4' energy: -153.026 flat angles C4'-P-C4' energy: -171.935 flat angles P-C4'-P energy: -100.427 tors. eta vs tors. theta energy: -213.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2555.129396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.129396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.129396 (E_RNA) where: Base-Base interactions energy: -1813.627 where: short stacking energy: -758.376 Base-Backbone interact. energy: 0.127 local terms energy: -741.629773 where: bonds (distance) C4'-P energy: -144.778 bonds (distance) P-C4' energy: -155.484 flat angles C4'-P-C4' energy: -154.995 flat angles P-C4'-P energy: -96.540 tors. eta vs tors. theta energy: -189.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2334.455944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.455944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.455944 (E_RNA) where: Base-Base interactions energy: -1638.919 where: short stacking energy: -694.849 Base-Backbone interact. energy: -1.655 local terms energy: -693.881690 where: bonds (distance) C4'-P energy: -124.270 bonds (distance) P-C4' energy: -144.901 flat angles C4'-P-C4' energy: -152.682 flat angles P-C4'-P energy: -90.039 tors. eta vs tors. theta energy: -181.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2235.574646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.574646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.574646 (E_RNA) where: Base-Base interactions energy: -1590.726 where: short stacking energy: -675.445 Base-Backbone interact. energy: -3.981 local terms energy: -640.867320 where: bonds (distance) C4'-P energy: -114.252 bonds (distance) P-C4' energy: -134.545 flat angles C4'-P-C4' energy: -158.921 flat angles P-C4'-P energy: -85.734 tors. eta vs tors. theta energy: -147.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1980.406664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.406664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.406664 (E_RNA) where: Base-Base interactions energy: -1350.961 where: short stacking energy: -596.342 Base-Backbone interact. energy: -1.466 local terms energy: -627.979229 where: bonds (distance) C4'-P energy: -136.466 bonds (distance) P-C4' energy: -134.232 flat angles C4'-P-C4' energy: -146.236 flat angles P-C4'-P energy: -90.687 tors. eta vs tors. theta energy: -120.358 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: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1792.724204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.724204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.724204 (E_RNA) where: Base-Base interactions energy: -1215.062 where: short stacking energy: -531.099 Base-Backbone interact. energy: -2.376 local terms energy: -575.286905 where: bonds (distance) C4'-P energy: -111.977 bonds (distance) P-C4' energy: -125.350 flat angles C4'-P-C4' energy: -140.620 flat angles P-C4'-P energy: -73.116 tors. eta vs tors. theta energy: -124.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1525.854366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.854366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.854366 (E_RNA) where: Base-Base interactions energy: -1006.929 where: short stacking energy: -420.755 Base-Backbone interact. energy: 5.091 local terms energy: -524.016217 where: bonds (distance) C4'-P energy: -105.949 bonds (distance) P-C4' energy: -143.238 flat angles C4'-P-C4' energy: -118.501 flat angles P-C4'-P energy: -88.030 tors. eta vs tors. theta energy: -68.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3039.039720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.039720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.039720 (E_RNA) where: Base-Base interactions energy: -2160.969 where: short stacking energy: -900.787 Base-Backbone interact. energy: -3.119 local terms energy: -874.951914 where: bonds (distance) C4'-P energy: -148.631 bonds (distance) P-C4' energy: -154.431 flat angles C4'-P-C4' energy: -183.892 flat angles P-C4'-P energy: -137.785 tors. eta vs tors. theta energy: -250.213 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: 2, replica: 1 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2982.228539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.228539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.228539 (E_RNA) where: Base-Base interactions energy: -2109.364 where: short stacking energy: -920.502 Base-Backbone interact. energy: -3.369 local terms energy: -869.495241 where: bonds (distance) C4'-P energy: -141.840 bonds (distance) P-C4' energy: -152.490 flat angles C4'-P-C4' energy: -186.332 flat angles P-C4'-P energy: -129.765 tors. eta vs tors. theta energy: -259.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2822.008435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.008435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.008435 (E_RNA) where: Base-Base interactions energy: -2006.605 where: short stacking energy: -835.856 Base-Backbone interact. energy: 1.714 local terms energy: -817.117463 where: bonds (distance) C4'-P energy: -155.929 bonds (distance) P-C4' energy: -150.833 flat angles C4'-P-C4' energy: -175.600 flat angles P-C4'-P energy: -116.983 tors. eta vs tors. theta energy: -217.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2642.906590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.906590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.906590 (E_RNA) where: Base-Base interactions energy: -1893.040 where: short stacking energy: -780.985 Base-Backbone interact. energy: 1.120 local terms energy: -750.986311 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -148.414 flat angles C4'-P-C4' energy: -149.691 flat angles P-C4'-P energy: -112.110 tors. eta vs tors. theta energy: -203.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2591.252706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.252706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.252706 (E_RNA) where: Base-Base interactions energy: -1823.379 where: short stacking energy: -793.284 Base-Backbone interact. energy: -4.801 local terms energy: -763.072259 where: bonds (distance) C4'-P energy: -139.606 bonds (distance) P-C4' energy: -144.938 flat angles C4'-P-C4' energy: -154.971 flat angles P-C4'-P energy: -115.285 tors. eta vs tors. theta energy: -208.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2336.777936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.777936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.777936 (E_RNA) where: Base-Base interactions energy: -1658.435 where: short stacking energy: -682.465 Base-Backbone interact. energy: -0.780 local terms energy: -677.562681 where: bonds (distance) C4'-P energy: -122.302 bonds (distance) P-C4' energy: -123.827 flat angles C4'-P-C4' energy: -149.039 flat angles P-C4'-P energy: -115.004 tors. eta vs tors. theta energy: -167.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2137.061701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.061701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.061701 (E_RNA) where: Base-Base interactions energy: -1510.799 where: short stacking energy: -650.387 Base-Backbone interact. energy: -0.313 local terms energy: -625.949697 where: bonds (distance) C4'-P energy: -121.116 bonds (distance) P-C4' energy: -145.210 flat angles C4'-P-C4' energy: -131.344 flat angles P-C4'-P energy: -80.616 tors. eta vs tors. theta energy: -147.663 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: 242 Temperature: 1.250000 Total energy: -2022.592539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.592539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.592539 (E_RNA) where: Base-Base interactions energy: -1379.868 where: short stacking energy: -615.564 Base-Backbone interact. energy: -4.638 local terms energy: -638.086378 where: bonds (distance) C4'-P energy: -125.868 bonds (distance) P-C4' energy: -134.703 flat angles C4'-P-C4' energy: -139.182 flat angles P-C4'-P energy: -90.748 tors. eta vs tors. theta energy: -147.585 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: 6 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1698.099462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.099462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.099462 (E_RNA) where: Base-Base interactions energy: -1124.325 where: short stacking energy: -482.721 Base-Backbone interact. energy: 0.912 local terms energy: -574.686710 where: bonds (distance) C4'-P energy: -131.395 bonds (distance) P-C4' energy: -146.509 flat angles C4'-P-C4' energy: -113.999 flat angles P-C4'-P energy: -69.565 tors. eta vs tors. theta energy: -113.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1518.483260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.483260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.483260 (E_RNA) where: Base-Base interactions energy: -1014.816 where: short stacking energy: -474.938 Base-Backbone interact. energy: -2.677 local terms energy: -500.990573 where: bonds (distance) C4'-P energy: -122.783 bonds (distance) P-C4' energy: -117.612 flat angles C4'-P-C4' energy: -120.931 flat angles P-C4'-P energy: -60.856 tors. eta vs tors. theta energy: -78.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3028.091632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.091632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.091632 (E_RNA) where: Base-Base interactions energy: -2163.663 where: short stacking energy: -908.383 Base-Backbone interact. energy: -4.762 local terms energy: -859.666362 where: bonds (distance) C4'-P energy: -159.628 bonds (distance) P-C4' energy: -163.726 flat angles C4'-P-C4' energy: -177.471 flat angles P-C4'-P energy: -120.553 tors. eta vs tors. theta energy: -238.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2952.476581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.476581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.476581 (E_RNA) where: Base-Base interactions energy: -2101.437 where: short stacking energy: -914.576 Base-Backbone interact. energy: -1.854 local terms energy: -849.185433 where: bonds (distance) C4'-P energy: -147.057 bonds (distance) P-C4' energy: -152.561 flat angles C4'-P-C4' energy: -179.452 flat angles P-C4'-P energy: -123.904 tors. eta vs tors. theta energy: -246.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2845.340344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.340344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.340344 (E_RNA) where: Base-Base interactions energy: -2008.491 where: short stacking energy: -837.275 Base-Backbone interact. energy: -3.033 local terms energy: -833.816762 where: bonds (distance) C4'-P energy: -153.735 bonds (distance) P-C4' energy: -171.629 flat angles C4'-P-C4' energy: -174.577 flat angles P-C4'-P energy: -114.713 tors. eta vs tors. theta energy: -219.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2696.459248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.459248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.459248 (E_RNA) where: Base-Base interactions energy: -1942.149 where: short stacking energy: -789.363 Base-Backbone interact. energy: 2.102 local terms energy: -756.411652 where: bonds (distance) C4'-P energy: -139.107 bonds (distance) P-C4' energy: -158.860 flat angles C4'-P-C4' energy: -176.404 flat angles P-C4'-P energy: -92.256 tors. eta vs tors. theta energy: -189.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2579.634334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.634334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.634334 (E_RNA) where: Base-Base interactions energy: -1834.413 where: short stacking energy: -748.188 Base-Backbone interact. energy: -0.453 local terms energy: -744.767979 where: bonds (distance) C4'-P energy: -129.171 bonds (distance) P-C4' energy: -145.849 flat angles C4'-P-C4' energy: -168.956 flat angles P-C4'-P energy: -109.623 tors. eta vs tors. theta energy: -191.169 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: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2341.494711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.494711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.494711 (E_RNA) where: Base-Base interactions energy: -1637.220 where: short stacking energy: -693.302 Base-Backbone interact. energy: -1.473 local terms energy: -702.801914 where: bonds (distance) C4'-P energy: -136.890 bonds (distance) P-C4' energy: -134.116 flat angles C4'-P-C4' energy: -154.645 flat angles P-C4'-P energy: -105.410 tors. eta vs tors. theta energy: -171.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2249.809879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.809879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.809879 (E_RNA) where: Base-Base interactions energy: -1541.187 where: short stacking energy: -651.206 Base-Backbone interact. energy: -2.486 local terms energy: -706.136861 where: bonds (distance) C4'-P energy: -147.030 bonds (distance) P-C4' energy: -140.852 flat angles C4'-P-C4' energy: -151.299 flat angles P-C4'-P energy: -107.903 tors. eta vs tors. theta energy: -159.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1964.780989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.780989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.780989 (E_RNA) where: Base-Base interactions energy: -1398.031 where: short stacking energy: -606.566 Base-Backbone interact. energy: -2.674 local terms energy: -564.075664 where: bonds (distance) C4'-P energy: -109.818 bonds (distance) P-C4' energy: -128.448 flat angles C4'-P-C4' energy: -119.631 flat angles P-C4'-P energy: -91.640 tors. eta vs tors. theta energy: -114.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1700.006756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.006756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.006756 (E_RNA) where: Base-Base interactions energy: -1131.273 where: short stacking energy: -526.124 Base-Backbone interact. energy: -2.771 local terms energy: -565.962338 where: bonds (distance) C4'-P energy: -109.317 bonds (distance) P-C4' energy: -134.453 flat angles C4'-P-C4' energy: -132.335 flat angles P-C4'-P energy: -92.024 tors. eta vs tors. theta energy: -97.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1463.760269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.760269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.760269 (E_RNA) where: Base-Base interactions energy: -979.513 where: short stacking energy: -435.659 Base-Backbone interact. energy: 7.895 local terms energy: -492.141708 where: bonds (distance) C4'-P energy: -101.341 bonds (distance) P-C4' energy: -119.683 flat angles C4'-P-C4' energy: -129.470 flat angles P-C4'-P energy: -78.101 tors. eta vs tors. theta energy: -63.547 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: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3009.335150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.335150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.335150 (E_RNA) where: Base-Base interactions energy: -2107.410 where: short stacking energy: -897.452 Base-Backbone interact. energy: -1.968 local terms energy: -899.956412 where: bonds (distance) C4'-P energy: -166.018 bonds (distance) P-C4' energy: -163.109 flat angles C4'-P-C4' energy: -182.676 flat angles P-C4'-P energy: -127.109 tors. eta vs tors. theta energy: -261.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2972.983427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.983427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.983427 (E_RNA) where: Base-Base interactions energy: -2135.272 where: short stacking energy: -889.497 Base-Backbone interact. energy: 0.343 local terms energy: -838.054047 where: bonds (distance) C4'-P energy: -156.816 bonds (distance) P-C4' energy: -153.938 flat angles C4'-P-C4' energy: -180.084 flat angles P-C4'-P energy: -113.845 tors. eta vs tors. theta energy: -233.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2864.377538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.377538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.377538 (E_RNA) where: Base-Base interactions energy: -2061.583 where: short stacking energy: -843.318 Base-Backbone interact. energy: -2.569 local terms energy: -800.225981 where: bonds (distance) C4'-P energy: -141.944 bonds (distance) P-C4' energy: -155.448 flat angles C4'-P-C4' energy: -176.853 flat angles P-C4'-P energy: -105.615 tors. eta vs tors. theta energy: -220.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2729.711867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.711867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.711867 (E_RNA) where: Base-Base interactions energy: -1959.588 where: short stacking energy: -779.824 Base-Backbone interact. energy: 1.459 local terms energy: -771.583089 where: bonds (distance) C4'-P energy: -137.756 bonds (distance) P-C4' energy: -153.304 flat angles C4'-P-C4' energy: -154.761 flat angles P-C4'-P energy: -117.753 tors. eta vs tors. theta energy: -208.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2581.022942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.022942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.022942 (E_RNA) where: Base-Base interactions energy: -1843.616 where: short stacking energy: -780.729 Base-Backbone interact. energy: -1.121 local terms energy: -736.286095 where: bonds (distance) C4'-P energy: -128.599 bonds (distance) P-C4' energy: -137.783 flat angles C4'-P-C4' energy: -167.040 flat angles P-C4'-P energy: -98.670 tors. eta vs tors. theta energy: -204.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2352.445225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.445225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.445225 (E_RNA) where: Base-Base interactions energy: -1633.334 where: short stacking energy: -713.057 Base-Backbone interact. energy: -3.142 local terms energy: -715.968694 where: bonds (distance) C4'-P energy: -148.270 bonds (distance) P-C4' energy: -132.666 flat angles C4'-P-C4' energy: -151.686 flat angles P-C4'-P energy: -106.281 tors. eta vs tors. theta energy: -177.065 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: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2154.982855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.982855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.982855 (E_RNA) where: Base-Base interactions energy: -1503.745 where: short stacking energy: -632.436 Base-Backbone interact. energy: -2.090 local terms energy: -649.147833 where: bonds (distance) C4'-P energy: -117.202 bonds (distance) P-C4' energy: -141.582 flat angles C4'-P-C4' energy: -157.920 flat angles P-C4'-P energy: -90.804 tors. eta vs tors. theta energy: -141.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -2022.117167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.117167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.117167 (E_RNA) where: Base-Base interactions energy: -1381.922 where: short stacking energy: -638.596 Base-Backbone interact. energy: -0.576 local terms energy: -639.618718 where: bonds (distance) C4'-P energy: -142.252 bonds (distance) P-C4' energy: -123.622 flat angles C4'-P-C4' energy: -149.039 flat angles P-C4'-P energy: -81.004 tors. eta vs tors. theta energy: -143.701 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: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1690.028645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.028645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.028645 (E_RNA) where: Base-Base interactions energy: -1136.201 where: short stacking energy: -512.527 Base-Backbone interact. energy: -1.522 local terms energy: -552.305758 where: bonds (distance) C4'-P energy: -115.601 bonds (distance) P-C4' energy: -127.348 flat angles C4'-P-C4' energy: -120.841 flat angles P-C4'-P energy: -90.470 tors. eta vs tors. theta energy: -98.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1513.039126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.039126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.039126 (E_RNA) where: Base-Base interactions energy: -1019.634 where: short stacking energy: -463.078 Base-Backbone interact. energy: -1.486 local terms energy: -491.918489 where: bonds (distance) C4'-P energy: -125.305 bonds (distance) P-C4' energy: -122.610 flat angles C4'-P-C4' energy: -122.591 flat angles P-C4'-P energy: -60.213 tors. eta vs tors. theta energy: -61.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3017.959533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.959533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.959533 (E_RNA) where: Base-Base interactions energy: -2133.582 where: short stacking energy: -885.288 Base-Backbone interact. energy: -2.772 local terms energy: -881.605066 where: bonds (distance) C4'-P energy: -164.479 bonds (distance) P-C4' energy: -170.442 flat angles C4'-P-C4' energy: -180.959 flat angles P-C4'-P energy: -111.952 tors. eta vs tors. theta energy: -253.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2956.325092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.325092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.325092 (E_RNA) where: Base-Base interactions energy: -2096.303 where: short stacking energy: -888.495 Base-Backbone interact. energy: -3.088 local terms energy: -856.934433 where: bonds (distance) C4'-P energy: -159.024 bonds (distance) P-C4' energy: -163.600 flat angles C4'-P-C4' energy: -182.860 flat angles P-C4'-P energy: -112.513 tors. eta vs tors. theta energy: -238.938 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: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2867.916905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.916905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.916905 (E_RNA) where: Base-Base interactions energy: -2049.191 where: short stacking energy: -832.417 Base-Backbone interact. energy: -8.043 local terms energy: -810.682411 where: bonds (distance) C4'-P energy: -132.613 bonds (distance) P-C4' energy: -150.939 flat angles C4'-P-C4' energy: -181.634 flat angles P-C4'-P energy: -117.075 tors. eta vs tors. theta energy: -228.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2705.682535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.682535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.682535 (E_RNA) where: Base-Base interactions energy: -1926.513 where: short stacking energy: -790.814 Base-Backbone interact. energy: -3.946 local terms energy: -775.223007 where: bonds (distance) C4'-P energy: -141.892 bonds (distance) P-C4' energy: -149.523 flat angles C4'-P-C4' energy: -170.433 flat angles P-C4'-P energy: -96.427 tors. eta vs tors. theta energy: -216.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2606.339906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.339906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.339906 (E_RNA) where: Base-Base interactions energy: -1811.830 where: short stacking energy: -740.279 Base-Backbone interact. energy: 2.113 local terms energy: -796.623070 where: bonds (distance) C4'-P energy: -150.482 bonds (distance) P-C4' energy: -162.701 flat angles C4'-P-C4' energy: -167.311 flat angles P-C4'-P energy: -111.145 tors. eta vs tors. theta energy: -204.984 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: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2302.873527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.873527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.873527 (E_RNA) where: Base-Base interactions energy: -1590.526 where: short stacking energy: -673.260 Base-Backbone interact. energy: -5.051 local terms energy: -707.296172 where: bonds (distance) C4'-P energy: -144.324 bonds (distance) P-C4' energy: -140.648 flat angles C4'-P-C4' energy: -161.707 flat angles P-C4'-P energy: -104.495 tors. eta vs tors. theta energy: -156.122 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: 2 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2074.252596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.252596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.252596 (E_RNA) where: Base-Base interactions energy: -1444.900 where: short stacking energy: -634.396 Base-Backbone interact. energy: 0.123 local terms energy: -629.475554 where: bonds (distance) C4'-P energy: -130.439 bonds (distance) P-C4' energy: -123.906 flat angles C4'-P-C4' energy: -169.565 flat angles P-C4'-P energy: -94.791 tors. eta vs tors. theta energy: -110.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -2005.413804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.413804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.413804 (E_RNA) where: Base-Base interactions energy: -1375.326 where: short stacking energy: -571.883 Base-Backbone interact. energy: -3.994 local terms energy: -626.093376 where: bonds (distance) C4'-P energy: -131.472 bonds (distance) P-C4' energy: -145.569 flat angles C4'-P-C4' energy: -148.741 flat angles P-C4'-P energy: -86.227 tors. eta vs tors. theta energy: -114.084 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: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1706.696318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.696318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.696318 (E_RNA) where: Base-Base interactions energy: -1187.942 where: short stacking energy: -511.384 Base-Backbone interact. energy: -2.553 local terms energy: -516.201963 where: bonds (distance) C4'-P energy: -101.257 bonds (distance) P-C4' energy: -113.177 flat angles C4'-P-C4' energy: -128.584 flat angles P-C4'-P energy: -73.845 tors. eta vs tors. theta energy: -99.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1614.236986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.236986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.236986 (E_RNA) where: Base-Base interactions energy: -1079.356 where: short stacking energy: -490.809 Base-Backbone interact. energy: -1.309 local terms energy: -533.572353 where: bonds (distance) C4'-P energy: -112.193 bonds (distance) P-C4' energy: -148.268 flat angles C4'-P-C4' energy: -104.284 flat angles P-C4'-P energy: -93.452 tors. eta vs tors. theta energy: -75.374 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: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3010.144563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.144563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.144563 (E_RNA) where: Base-Base interactions energy: -2133.393 where: short stacking energy: -916.247 Base-Backbone interact. energy: -1.586 local terms energy: -875.165526 where: bonds (distance) C4'-P energy: -151.405 bonds (distance) P-C4' energy: -169.282 flat angles C4'-P-C4' energy: -187.248 flat angles P-C4'-P energy: -116.410 tors. eta vs tors. theta energy: -250.819 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: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2926.117014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.117014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.117014 (E_RNA) where: Base-Base interactions energy: -2119.637 where: short stacking energy: -897.898 Base-Backbone interact. energy: -5.737 local terms energy: -800.742288 where: bonds (distance) C4'-P energy: -136.238 bonds (distance) P-C4' energy: -138.731 flat angles C4'-P-C4' energy: -181.165 flat angles P-C4'-P energy: -124.457 tors. eta vs tors. theta energy: -220.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2837.198404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.198404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.198404 (E_RNA) where: Base-Base interactions energy: -2028.584 where: short stacking energy: -806.233 Base-Backbone interact. energy: -3.554 local terms energy: -805.060994 where: bonds (distance) C4'-P energy: -156.746 bonds (distance) P-C4' energy: -155.667 flat angles C4'-P-C4' energy: -175.715 flat angles P-C4'-P energy: -106.750 tors. eta vs tors. theta energy: -210.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2729.027742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.027742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.027742 (E_RNA) where: Base-Base interactions energy: -1940.305 where: short stacking energy: -810.193 Base-Backbone interact. energy: -1.304 local terms energy: -787.419084 where: bonds (distance) C4'-P energy: -147.848 bonds (distance) P-C4' energy: -138.403 flat angles C4'-P-C4' energy: -168.972 flat angles P-C4'-P energy: -114.143 tors. eta vs tors. theta energy: -218.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2593.986124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.986124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.986124 (E_RNA) where: Base-Base interactions energy: -1846.225 where: short stacking energy: -785.351 Base-Backbone interact. energy: 5.411 local terms energy: -753.172169 where: bonds (distance) C4'-P energy: -142.532 bonds (distance) P-C4' energy: -137.292 flat angles C4'-P-C4' energy: -155.989 flat angles P-C4'-P energy: -112.414 tors. eta vs tors. theta energy: -204.945 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: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2330.544504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.544504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.544504 (E_RNA) where: Base-Base interactions energy: -1603.300 where: short stacking energy: -682.384 Base-Backbone interact. energy: -1.355 local terms energy: -725.889252 where: bonds (distance) C4'-P energy: -148.854 bonds (distance) P-C4' energy: -148.514 flat angles C4'-P-C4' energy: -152.303 flat angles P-C4'-P energy: -100.751 tors. eta vs tors. theta energy: -175.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2096.457583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.457583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.457583 (E_RNA) where: Base-Base interactions energy: -1451.418 where: short stacking energy: -680.684 Base-Backbone interact. energy: -1.108 local terms energy: -643.932233 where: bonds (distance) C4'-P energy: -126.231 bonds (distance) P-C4' energy: -136.562 flat angles C4'-P-C4' energy: -142.126 flat angles P-C4'-P energy: -87.840 tors. eta vs tors. theta energy: -151.173 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: 8, replica: 2 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -2000.631949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.631949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.631949 (E_RNA) where: Base-Base interactions energy: -1407.669 where: short stacking energy: -599.509 Base-Backbone interact. energy: 2.424 local terms energy: -595.387233 where: bonds (distance) C4'-P energy: -120.155 bonds (distance) P-C4' energy: -111.285 flat angles C4'-P-C4' energy: -141.883 flat angles P-C4'-P energy: -86.827 tors. eta vs tors. theta energy: -135.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1678.367554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.367554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.367554 (E_RNA) where: Base-Base interactions energy: -1135.216 where: short stacking energy: -498.432 Base-Backbone interact. energy: 3.998 local terms energy: -547.150128 where: bonds (distance) C4'-P energy: -114.705 bonds (distance) P-C4' energy: -127.565 flat angles C4'-P-C4' energy: -136.842 flat angles P-C4'-P energy: -80.515 tors. eta vs tors. theta energy: -87.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1656.601113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.601113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.601113 (E_RNA) where: Base-Base interactions energy: -1106.977 where: short stacking energy: -505.819 Base-Backbone interact. energy: 1.828 local terms energy: -551.452254 where: bonds (distance) C4'-P energy: -130.757 bonds (distance) P-C4' energy: -125.014 flat angles C4'-P-C4' energy: -114.732 flat angles P-C4'-P energy: -74.978 tors. eta vs tors. theta energy: -105.971 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: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3011.194429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.194429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.194429 (E_RNA) where: Base-Base interactions energy: -2114.635 where: short stacking energy: -878.151 Base-Backbone interact. energy: -4.778 local terms energy: -891.781167 where: bonds (distance) C4'-P energy: -165.497 bonds (distance) P-C4' energy: -172.866 flat angles C4'-P-C4' energy: -188.149 flat angles P-C4'-P energy: -122.098 tors. eta vs tors. theta energy: -243.172 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: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2928.330255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.330255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.330255 (E_RNA) where: Base-Base interactions energy: -2077.921 where: short stacking energy: -864.458 Base-Backbone interact. energy: -4.432 local terms energy: -845.977424 where: bonds (distance) C4'-P energy: -155.411 bonds (distance) P-C4' energy: -151.820 flat angles C4'-P-C4' energy: -184.588 flat angles P-C4'-P energy: -125.225 tors. eta vs tors. theta energy: -228.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2856.477586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.477586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.477586 (E_RNA) where: Base-Base interactions energy: -2032.684 where: short stacking energy: -839.716 Base-Backbone interact. energy: -5.363 local terms energy: -818.430357 where: bonds (distance) C4'-P energy: -146.058 bonds (distance) P-C4' energy: -160.961 flat angles C4'-P-C4' energy: -170.557 flat angles P-C4'-P energy: -120.407 tors. eta vs tors. theta energy: -220.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2715.583206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.583206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.583206 (E_RNA) where: Base-Base interactions energy: -1939.661 where: short stacking energy: -798.156 Base-Backbone interact. energy: -6.404 local terms energy: -769.518544 where: bonds (distance) C4'-P energy: -136.200 bonds (distance) P-C4' energy: -143.572 flat angles C4'-P-C4' energy: -178.464 flat angles P-C4'-P energy: -106.624 tors. eta vs tors. theta energy: -204.659 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: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2623.587329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.587329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.587329 (E_RNA) where: Base-Base interactions energy: -1863.948 where: short stacking energy: -804.412 Base-Backbone interact. energy: 0.383 local terms energy: -760.022831 where: bonds (distance) C4'-P energy: -132.363 bonds (distance) P-C4' energy: -143.925 flat angles C4'-P-C4' energy: -173.092 flat angles P-C4'-P energy: -108.100 tors. eta vs tors. theta energy: -202.543 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: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2293.106952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.106952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.106952 (E_RNA) where: Base-Base interactions energy: -1604.574 where: short stacking energy: -697.945 Base-Backbone interact. energy: 0.262 local terms energy: -688.795381 where: bonds (distance) C4'-P energy: -126.766 bonds (distance) P-C4' energy: -136.608 flat angles C4'-P-C4' energy: -157.428 flat angles P-C4'-P energy: -93.715 tors. eta vs tors. theta energy: -174.278 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: 7, replica: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2187.286896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.286896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.286896 (E_RNA) where: Base-Base interactions energy: -1519.792 where: short stacking energy: -655.397 Base-Backbone interact. energy: -3.006 local terms energy: -664.489390 where: bonds (distance) C4'-P energy: -138.177 bonds (distance) P-C4' energy: -132.352 flat angles C4'-P-C4' energy: -153.350 flat angles P-C4'-P energy: -84.696 tors. eta vs tors. theta energy: -155.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -2070.799576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.799576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.799576 (E_RNA) where: Base-Base interactions energy: -1420.746 where: short stacking energy: -600.071 Base-Backbone interact. energy: -1.924 local terms energy: -648.129608 where: bonds (distance) C4'-P energy: -140.898 bonds (distance) P-C4' energy: -133.849 flat angles C4'-P-C4' energy: -157.212 flat angles P-C4'-P energy: -88.468 tors. eta vs tors. theta energy: -127.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1690.249085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.249085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.249085 (E_RNA) where: Base-Base interactions energy: -1146.716 where: short stacking energy: -492.832 Base-Backbone interact. energy: 1.205 local terms energy: -544.737752 where: bonds (distance) C4'-P energy: -96.966 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -128.196 flat angles P-C4'-P energy: -81.480 tors. eta vs tors. theta energy: -95.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1681.946125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.946125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.946125 (E_RNA) where: Base-Base interactions energy: -1131.031 where: short stacking energy: -498.724 Base-Backbone interact. energy: 0.998 local terms energy: -551.912932 where: bonds (distance) C4'-P energy: -121.594 bonds (distance) P-C4' energy: -99.644 flat angles C4'-P-C4' energy: -143.469 flat angles P-C4'-P energy: -90.542 tors. eta vs tors. theta energy: -96.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3035.681140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.681140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.681140 (E_RNA) where: Base-Base interactions energy: -2122.793 where: short stacking energy: -909.057 Base-Backbone interact. energy: -4.776 local terms energy: -908.112614 where: bonds (distance) C4'-P energy: -160.320 bonds (distance) P-C4' energy: -163.682 flat angles C4'-P-C4' energy: -188.390 flat angles P-C4'-P energy: -138.063 tors. eta vs tors. theta energy: -257.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2960.767945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.767945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.767945 (E_RNA) where: Base-Base interactions energy: -2106.348 where: short stacking energy: -855.134 Base-Backbone interact. energy: -2.699 local terms energy: -851.720295 where: bonds (distance) C4'-P energy: -159.057 bonds (distance) P-C4' energy: -162.041 flat angles C4'-P-C4' energy: -183.856 flat angles P-C4'-P energy: -117.094 tors. eta vs tors. theta energy: -229.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2858.670831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.670831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.670831 (E_RNA) where: Base-Base interactions energy: -2053.373 where: short stacking energy: -864.013 Base-Backbone interact. energy: 0.712 local terms energy: -806.010501 where: bonds (distance) C4'-P energy: -147.122 bonds (distance) P-C4' energy: -134.621 flat angles C4'-P-C4' energy: -174.192 flat angles P-C4'-P energy: -119.887 tors. eta vs tors. theta energy: -230.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2744.128581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.128581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.128581 (E_RNA) where: Base-Base interactions energy: -1959.620 where: short stacking energy: -820.703 Base-Backbone interact. energy: -0.105 local terms energy: -784.403503 where: bonds (distance) C4'-P energy: -145.528 bonds (distance) P-C4' energy: -149.337 flat angles C4'-P-C4' energy: -164.417 flat angles P-C4'-P energy: -118.213 tors. eta vs tors. theta energy: -206.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2656.934572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.934572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.934572 (E_RNA) where: Base-Base interactions energy: -1916.375 where: short stacking energy: -786.153 Base-Backbone interact. energy: 0.113 local terms energy: -740.672500 where: bonds (distance) C4'-P energy: -150.293 bonds (distance) P-C4' energy: -128.919 flat angles C4'-P-C4' energy: -163.387 flat angles P-C4'-P energy: -94.323 tors. eta vs tors. theta energy: -203.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2287.402716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.402716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.402716 (E_RNA) where: Base-Base interactions energy: -1572.421 where: short stacking energy: -681.863 Base-Backbone interact. energy: 1.346 local terms energy: -716.327696 where: bonds (distance) C4'-P energy: -118.002 bonds (distance) P-C4' energy: -150.354 flat angles C4'-P-C4' energy: -174.677 flat angles P-C4'-P energy: -101.048 tors. eta vs tors. theta energy: -172.247 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: 7, replica: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -2161.947672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.947672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.947672 (E_RNA) where: Base-Base interactions energy: -1517.398 where: short stacking energy: -661.689 Base-Backbone interact. energy: -2.050 local terms energy: -642.499030 where: bonds (distance) C4'-P energy: -128.425 bonds (distance) P-C4' energy: -140.811 flat angles C4'-P-C4' energy: -135.321 flat angles P-C4'-P energy: -88.408 tors. eta vs tors. theta energy: -149.534 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: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -2053.467610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.467610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.467610 (E_RNA) where: Base-Base interactions energy: -1391.016 where: short stacking energy: -591.820 Base-Backbone interact. energy: -0.697 local terms energy: -661.755054 where: bonds (distance) C4'-P energy: -139.463 bonds (distance) P-C4' energy: -134.405 flat angles C4'-P-C4' energy: -147.701 flat angles P-C4'-P energy: -99.967 tors. eta vs tors. theta energy: -140.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1654.604498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.604498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.604498 (E_RNA) where: Base-Base interactions energy: -1093.393 where: short stacking energy: -513.441 Base-Backbone interact. energy: -2.957 local terms energy: -558.253940 where: bonds (distance) C4'-P energy: -120.617 bonds (distance) P-C4' energy: -146.299 flat angles C4'-P-C4' energy: -134.152 flat angles P-C4'-P energy: -65.503 tors. eta vs tors. theta energy: -91.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1668.515638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.515638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.515638 (E_RNA) where: Base-Base interactions energy: -1123.993 where: short stacking energy: -513.689 Base-Backbone interact. energy: 0.652 local terms energy: -545.174592 where: bonds (distance) C4'-P energy: -116.078 bonds (distance) P-C4' energy: -127.683 flat angles C4'-P-C4' energy: -139.807 flat angles P-C4'-P energy: -65.988 tors. eta vs tors. theta energy: -95.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3043.306925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.306925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.306925 (E_RNA) where: Base-Base interactions energy: -2148.095 where: short stacking energy: -916.065 Base-Backbone interact. energy: 0.856 local terms energy: -896.067837 where: bonds (distance) C4'-P energy: -162.038 bonds (distance) P-C4' energy: -157.676 flat angles C4'-P-C4' energy: -186.379 flat angles P-C4'-P energy: -129.464 tors. eta vs tors. theta energy: -260.511 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: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2994.290441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.290441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.290441 (E_RNA) where: Base-Base interactions energy: -2130.815 where: short stacking energy: -916.986 Base-Backbone interact. energy: -4.475 local terms energy: -858.999883 where: bonds (distance) C4'-P energy: -166.997 bonds (distance) P-C4' energy: -154.844 flat angles C4'-P-C4' energy: -177.443 flat angles P-C4'-P energy: -109.165 tors. eta vs tors. theta energy: -250.551 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: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2815.216697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.216697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.216697 (E_RNA) where: Base-Base interactions energy: -2031.990 where: short stacking energy: -843.707 Base-Backbone interact. energy: -0.889 local terms energy: -782.338196 where: bonds (distance) C4'-P energy: -125.374 bonds (distance) P-C4' energy: -144.462 flat angles C4'-P-C4' energy: -182.770 flat angles P-C4'-P energy: -117.031 tors. eta vs tors. theta energy: -212.702 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: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2738.804460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.804460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.804460 (E_RNA) where: Base-Base interactions energy: -1970.640 where: short stacking energy: -836.946 Base-Backbone interact. energy: -5.565 local terms energy: -762.599934 where: bonds (distance) C4'-P energy: -134.785 bonds (distance) P-C4' energy: -137.097 flat angles C4'-P-C4' energy: -177.425 flat angles P-C4'-P energy: -97.447 tors. eta vs tors. theta energy: -215.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2631.135485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.135485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.135485 (E_RNA) where: Base-Base interactions energy: -1893.151 where: short stacking energy: -775.051 Base-Backbone interact. energy: -1.253 local terms energy: -736.731423 where: bonds (distance) C4'-P energy: -129.689 bonds (distance) P-C4' energy: -144.670 flat angles C4'-P-C4' energy: -163.564 flat angles P-C4'-P energy: -109.358 tors. eta vs tors. theta energy: -189.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2341.722107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.722107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.722107 (E_RNA) where: Base-Base interactions energy: -1658.763 where: short stacking energy: -699.429 Base-Backbone interact. energy: 1.317 local terms energy: -684.276511 where: bonds (distance) C4'-P energy: -112.562 bonds (distance) P-C4' energy: -136.237 flat angles C4'-P-C4' energy: -169.965 flat angles P-C4'-P energy: -90.591 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: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2225.806505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.806505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.806505 (E_RNA) where: Base-Base interactions energy: -1565.071 where: short stacking energy: -676.884 Base-Backbone interact. energy: 0.158 local terms energy: -660.893244 where: bonds (distance) C4'-P energy: -128.217 bonds (distance) P-C4' energy: -141.284 flat angles C4'-P-C4' energy: -139.951 flat angles P-C4'-P energy: -98.264 tors. eta vs tors. theta energy: -153.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -2038.009168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.009168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.009168 (E_RNA) where: Base-Base interactions energy: -1411.811 where: short stacking energy: -593.769 Base-Backbone interact. energy: 0.338 local terms energy: -626.536008 where: bonds (distance) C4'-P energy: -125.875 bonds (distance) P-C4' energy: -113.937 flat angles C4'-P-C4' energy: -150.171 flat angles P-C4'-P energy: -96.997 tors. eta vs tors. theta energy: -139.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1723.052433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.052433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.052433 (E_RNA) where: Base-Base interactions energy: -1183.451 where: short stacking energy: -526.738 Base-Backbone interact. energy: -0.505 local terms energy: -539.096087 where: bonds (distance) C4'-P energy: -135.930 bonds (distance) P-C4' energy: -134.714 flat angles C4'-P-C4' energy: -116.260 flat angles P-C4'-P energy: -72.008 tors. eta vs tors. theta energy: -80.184 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: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1554.674436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.674436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.674436 (E_RNA) where: Base-Base interactions energy: -1044.272 where: short stacking energy: -467.235 Base-Backbone interact. energy: 1.067 local terms energy: -511.470073 where: bonds (distance) C4'-P energy: -104.845 bonds (distance) P-C4' energy: -144.247 flat angles C4'-P-C4' energy: -126.047 flat angles P-C4'-P energy: -51.329 tors. eta vs tors. theta energy: -85.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3017.500560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.500560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.500560 (E_RNA) where: Base-Base interactions energy: -2147.098 where: short stacking energy: -893.694 Base-Backbone interact. energy: 0.173 local terms energy: -870.575422 where: bonds (distance) C4'-P energy: -162.538 bonds (distance) P-C4' energy: -158.237 flat angles C4'-P-C4' energy: -188.425 flat angles P-C4'-P energy: -116.360 tors. eta vs tors. theta energy: -245.014 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: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2983.385417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.385417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.385417 (E_RNA) where: Base-Base interactions energy: -2136.824 where: short stacking energy: -896.848 Base-Backbone interact. energy: -6.684 local terms energy: -839.877529 where: bonds (distance) C4'-P energy: -152.816 bonds (distance) P-C4' energy: -151.223 flat angles C4'-P-C4' energy: -181.258 flat angles P-C4'-P energy: -110.165 tors. eta vs tors. theta energy: -244.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2818.723414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.723414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.723414 (E_RNA) where: Base-Base interactions energy: -2030.060 where: short stacking energy: -836.661 Base-Backbone interact. energy: -1.432 local terms energy: -787.231227 where: bonds (distance) C4'-P energy: -143.268 bonds (distance) P-C4' energy: -155.765 flat angles C4'-P-C4' energy: -167.067 flat angles P-C4'-P energy: -108.636 tors. eta vs tors. theta energy: -212.495 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: 3 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2734.260381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.260381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.260381 (E_RNA) where: Base-Base interactions energy: -1940.842 where: short stacking energy: -801.394 Base-Backbone interact. energy: 4.804 local terms energy: -798.221960 where: bonds (distance) C4'-P energy: -162.858 bonds (distance) P-C4' energy: -141.526 flat angles C4'-P-C4' energy: -184.967 flat angles P-C4'-P energy: -99.524 tors. eta vs tors. theta energy: -209.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2580.419301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.419301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.419301 (E_RNA) where: Base-Base interactions energy: -1843.437 where: short stacking energy: -727.517 Base-Backbone interact. energy: -3.538 local terms energy: -733.444821 where: bonds (distance) C4'-P energy: -126.492 bonds (distance) P-C4' energy: -161.680 flat angles C4'-P-C4' energy: -161.192 flat angles P-C4'-P energy: -91.693 tors. eta vs tors. theta energy: -192.388 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: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2397.494944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.494944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.494944 (E_RNA) where: Base-Base interactions energy: -1706.922 where: short stacking energy: -737.532 Base-Backbone interact. energy: -2.748 local terms energy: -687.824188 where: bonds (distance) C4'-P energy: -133.637 bonds (distance) P-C4' energy: -150.987 flat angles C4'-P-C4' energy: -139.170 flat angles P-C4'-P energy: -90.444 tors. eta vs tors. theta energy: -173.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2177.083268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.083268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.083268 (E_RNA) where: Base-Base interactions energy: -1488.332 where: short stacking energy: -653.926 Base-Backbone interact. energy: -2.397 local terms energy: -686.354438 where: bonds (distance) C4'-P energy: -147.610 bonds (distance) P-C4' energy: -148.969 flat angles C4'-P-C4' energy: -138.725 flat angles P-C4'-P energy: -95.854 tors. eta vs tors. theta energy: -155.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1998.297116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.297116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.297116 (E_RNA) where: Base-Base interactions energy: -1371.706 where: short stacking energy: -574.063 Base-Backbone interact. energy: -4.507 local terms energy: -622.084636 where: bonds (distance) C4'-P energy: -127.701 bonds (distance) P-C4' energy: -128.089 flat angles C4'-P-C4' energy: -142.274 flat angles P-C4'-P energy: -107.019 tors. eta vs tors. theta energy: -117.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1730.186273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.186273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.186273 (E_RNA) where: Base-Base interactions energy: -1128.413 where: short stacking energy: -512.913 Base-Backbone interact. energy: -2.950 local terms energy: -598.822844 where: bonds (distance) C4'-P energy: -125.053 bonds (distance) P-C4' energy: -126.667 flat angles C4'-P-C4' energy: -154.665 flat angles P-C4'-P energy: -79.140 tors. eta vs tors. theta energy: -113.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1567.234351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.234351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.234351 (E_RNA) where: Base-Base interactions energy: -1043.940 where: short stacking energy: -463.180 Base-Backbone interact. energy: -0.977 local terms energy: -522.317488 where: bonds (distance) C4'-P energy: -116.250 bonds (distance) P-C4' energy: -125.102 flat angles C4'-P-C4' energy: -123.680 flat angles P-C4'-P energy: -80.897 tors. eta vs tors. theta energy: -76.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3025.475420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.475420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.475420 (E_RNA) where: Base-Base interactions energy: -2133.562 where: short stacking energy: -902.994 Base-Backbone interact. energy: -4.492 local terms energy: -887.421251 where: bonds (distance) C4'-P energy: -157.337 bonds (distance) P-C4' energy: -163.559 flat angles C4'-P-C4' energy: -196.764 flat angles P-C4'-P energy: -119.603 tors. eta vs tors. theta energy: -250.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2994.749272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.749272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.749272 (E_RNA) where: Base-Base interactions energy: -2125.251 where: short stacking energy: -908.637 Base-Backbone interact. energy: -3.220 local terms energy: -866.277879 where: bonds (distance) C4'-P energy: -160.036 bonds (distance) P-C4' energy: -152.125 flat angles C4'-P-C4' energy: -175.164 flat angles P-C4'-P energy: -131.430 tors. eta vs tors. theta energy: -247.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2812.319216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.319216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.319216 (E_RNA) where: Base-Base interactions energy: -2004.875 where: short stacking energy: -812.397 Base-Backbone interact. energy: 1.558 local terms energy: -809.001880 where: bonds (distance) C4'-P energy: -166.445 bonds (distance) P-C4' energy: -144.122 flat angles C4'-P-C4' energy: -168.590 flat angles P-C4'-P energy: -117.678 tors. eta vs tors. theta energy: -212.166 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: 3 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2729.813796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.813796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.813796 (E_RNA) where: Base-Base interactions energy: -1963.124 where: short stacking energy: -779.616 Base-Backbone interact. energy: 1.918 local terms energy: -768.607349 where: bonds (distance) C4'-P energy: -136.842 bonds (distance) P-C4' energy: -142.630 flat angles C4'-P-C4' energy: -171.054 flat angles P-C4'-P energy: -104.681 tors. eta vs tors. theta energy: -213.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2603.631936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.631936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.631936 (E_RNA) where: Base-Base interactions energy: -1878.393 where: short stacking energy: -778.827 Base-Backbone interact. energy: 2.157 local terms energy: -727.395210 where: bonds (distance) C4'-P energy: -144.245 bonds (distance) P-C4' energy: -131.859 flat angles C4'-P-C4' energy: -155.803 flat angles P-C4'-P energy: -106.555 tors. eta vs tors. theta energy: -188.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2336.603421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.603421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.603421 (E_RNA) where: Base-Base interactions energy: -1654.361 where: short stacking energy: -700.466 Base-Backbone interact. energy: 3.431 local terms energy: -685.673636 where: bonds (distance) C4'-P energy: -150.423 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -144.469 flat angles P-C4'-P energy: -90.138 tors. eta vs tors. theta energy: -165.362 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: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2188.666786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.666786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.666786 (E_RNA) where: Base-Base interactions energy: -1527.565 where: short stacking energy: -679.212 Base-Backbone interact. energy: 7.541 local terms energy: -668.641996 where: bonds (distance) C4'-P energy: -124.622 bonds (distance) P-C4' energy: -136.946 flat angles C4'-P-C4' energy: -144.096 flat angles P-C4'-P energy: -96.861 tors. eta vs tors. theta energy: -166.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1973.221311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.221311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.221311 (E_RNA) where: Base-Base interactions energy: -1347.672 where: short stacking energy: -588.330 Base-Backbone interact. energy: -4.610 local terms energy: -620.938810 where: bonds (distance) C4'-P energy: -122.272 bonds (distance) P-C4' energy: -159.430 flat angles C4'-P-C4' energy: -130.254 flat angles P-C4'-P energy: -82.366 tors. eta vs tors. theta energy: -126.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1816.947483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.947483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.947483 (E_RNA) where: Base-Base interactions energy: -1212.515 where: short stacking energy: -544.899 Base-Backbone interact. energy: -1.875 local terms energy: -602.557871 where: bonds (distance) C4'-P energy: -121.719 bonds (distance) P-C4' energy: -141.416 flat angles C4'-P-C4' energy: -151.738 flat angles P-C4'-P energy: -91.829 tors. eta vs tors. theta energy: -95.856 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: 5 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1535.810978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.810978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.810978 (E_RNA) where: Base-Base interactions energy: -996.909 where: short stacking energy: -443.367 Base-Backbone interact. energy: 6.745 local terms energy: -545.646914 where: bonds (distance) C4'-P energy: -124.532 bonds (distance) P-C4' energy: -138.559 flat angles C4'-P-C4' energy: -135.401 flat angles P-C4'-P energy: -72.518 tors. eta vs tors. theta energy: -74.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3053.378945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.378945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.378945 (E_RNA) where: Base-Base interactions energy: -2166.330 where: short stacking energy: -946.839 Base-Backbone interact. energy: -0.070 local terms energy: -886.978808 where: bonds (distance) C4'-P energy: -157.895 bonds (distance) P-C4' energy: -158.606 flat angles C4'-P-C4' energy: -184.002 flat angles P-C4'-P energy: -120.407 tors. eta vs tors. theta energy: -266.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2983.774865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.774865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.774865 (E_RNA) where: Base-Base interactions energy: -2136.619 where: short stacking energy: -895.436 Base-Backbone interact. energy: -2.300 local terms energy: -844.855643 where: bonds (distance) C4'-P energy: -148.203 bonds (distance) P-C4' energy: -160.114 flat angles C4'-P-C4' energy: -178.443 flat angles P-C4'-P energy: -119.435 tors. eta vs tors. theta energy: -238.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2800.336569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.336569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.336569 (E_RNA) where: Base-Base interactions energy: -2006.940 where: short stacking energy: -834.664 Base-Backbone interact. energy: -6.750 local terms energy: -786.646967 where: bonds (distance) C4'-P energy: -155.070 bonds (distance) P-C4' energy: -151.664 flat angles C4'-P-C4' energy: -164.631 flat angles P-C4'-P energy: -100.201 tors. eta vs tors. theta energy: -215.081 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: 252 Temperature: 1.050000 Total energy: -2733.711982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.711982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.711982 (E_RNA) where: Base-Base interactions energy: -1941.765 where: short stacking energy: -793.813 Base-Backbone interact. energy: -7.405 local terms energy: -784.541722 where: bonds (distance) C4'-P energy: -148.257 bonds (distance) P-C4' energy: -138.385 flat angles C4'-P-C4' energy: -171.545 flat angles P-C4'-P energy: -114.026 tors. eta vs tors. theta energy: -212.329 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: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2549.736880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.736880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.736880 (E_RNA) where: Base-Base interactions energy: -1831.346 where: short stacking energy: -760.200 Base-Backbone interact. energy: 0.367 local terms energy: -718.758328 where: bonds (distance) C4'-P energy: -145.716 bonds (distance) P-C4' energy: -141.234 flat angles C4'-P-C4' energy: -159.740 flat angles P-C4'-P energy: -86.138 tors. eta vs tors. theta energy: -185.931 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: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2361.255533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.255533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.255533 (E_RNA) where: Base-Base interactions energy: -1673.534 where: short stacking energy: -692.514 Base-Backbone interact. energy: -3.054 local terms energy: -684.666602 where: bonds (distance) C4'-P energy: -142.739 bonds (distance) P-C4' energy: -144.048 flat angles C4'-P-C4' energy: -138.507 flat angles P-C4'-P energy: -87.998 tors. eta vs tors. theta energy: -171.375 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: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2111.236614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.236614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.236614 (E_RNA) where: Base-Base interactions energy: -1449.310 where: short stacking energy: -642.065 Base-Backbone interact. energy: -3.466 local terms energy: -658.460768 where: bonds (distance) C4'-P energy: -125.054 bonds (distance) P-C4' energy: -129.498 flat angles C4'-P-C4' energy: -159.863 flat angles P-C4'-P energy: -94.432 tors. eta vs tors. theta energy: -149.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1993.331523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.331523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.331523 (E_RNA) where: Base-Base interactions energy: -1375.757 where: short stacking energy: -558.718 Base-Backbone interact. energy: -2.657 local terms energy: -614.917825 where: bonds (distance) C4'-P energy: -125.103 bonds (distance) P-C4' energy: -141.315 flat angles C4'-P-C4' energy: -145.662 flat angles P-C4'-P energy: -91.505 tors. eta vs tors. theta energy: -111.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1622.765493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.765493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.765493 (E_RNA) where: Base-Base interactions energy: -1088.311 where: short stacking energy: -484.416 Base-Backbone interact. energy: 0.126 local terms energy: -534.579749 where: bonds (distance) C4'-P energy: -124.110 bonds (distance) P-C4' energy: -124.865 flat angles C4'-P-C4' energy: -128.883 flat angles P-C4'-P energy: -75.987 tors. eta vs tors. theta energy: -80.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1631.519325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.519325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.519325 (E_RNA) where: Base-Base interactions energy: -1072.133 where: short stacking energy: -474.612 Base-Backbone interact. energy: 1.285 local terms energy: -560.671756 where: bonds (distance) C4'-P energy: -110.713 bonds (distance) P-C4' energy: -142.769 flat angles C4'-P-C4' energy: -127.393 flat angles P-C4'-P energy: -94.198 tors. eta vs tors. theta energy: -85.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3023.240314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.240314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.240314 (E_RNA) where: Base-Base interactions energy: -2136.660 where: short stacking energy: -901.952 Base-Backbone interact. energy: -1.716 local terms energy: -884.864754 where: bonds (distance) C4'-P energy: -151.238 bonds (distance) P-C4' energy: -154.431 flat angles C4'-P-C4' energy: -185.312 flat angles P-C4'-P energy: -125.522 tors. eta vs tors. theta energy: -268.362 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: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2956.123432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.123432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.123432 (E_RNA) where: Base-Base interactions energy: -2098.236 where: short stacking energy: -897.826 Base-Backbone interact. energy: -6.276 local terms energy: -851.611373 where: bonds (distance) C4'-P energy: -167.570 bonds (distance) P-C4' energy: -151.274 flat angles C4'-P-C4' energy: -184.927 flat angles P-C4'-P energy: -112.237 tors. eta vs tors. theta energy: -235.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2853.687971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.687971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.687971 (E_RNA) where: Base-Base interactions energy: -2066.204 where: short stacking energy: -854.563 Base-Backbone interact. energy: -7.583 local terms energy: -779.900348 where: bonds (distance) C4'-P energy: -142.468 bonds (distance) P-C4' energy: -153.196 flat angles C4'-P-C4' energy: -179.031 flat angles P-C4'-P energy: -108.072 tors. eta vs tors. theta energy: -197.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2730.417192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.417192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.417192 (E_RNA) where: Base-Base interactions energy: -1939.026 where: short stacking energy: -805.158 Base-Backbone interact. energy: -0.859 local terms energy: -790.531977 where: bonds (distance) C4'-P energy: -156.300 bonds (distance) P-C4' energy: -142.092 flat angles C4'-P-C4' energy: -164.855 flat angles P-C4'-P energy: -109.290 tors. eta vs tors. theta energy: -217.995 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: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2596.633235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.633235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.633235 (E_RNA) where: Base-Base interactions energy: -1837.165 where: short stacking energy: -783.532 Base-Backbone interact. energy: -1.684 local terms energy: -757.784345 where: bonds (distance) C4'-P energy: -136.285 bonds (distance) P-C4' energy: -162.571 flat angles C4'-P-C4' energy: -170.616 flat angles P-C4'-P energy: -92.376 tors. eta vs tors. theta energy: -195.936 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: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2354.971260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.971260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.971260 (E_RNA) where: Base-Base interactions energy: -1634.638 where: short stacking energy: -686.723 Base-Backbone interact. energy: -4.593 local terms energy: -715.739751 where: bonds (distance) C4'-P energy: -124.206 bonds (distance) P-C4' energy: -150.619 flat angles C4'-P-C4' energy: -160.900 flat angles P-C4'-P energy: -103.483 tors. eta vs tors. theta energy: -176.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2188.943785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.943785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.943785 (E_RNA) where: Base-Base interactions energy: -1490.632 where: short stacking energy: -669.547 Base-Backbone interact. energy: -0.563 local terms energy: -697.748541 where: bonds (distance) C4'-P energy: -127.767 bonds (distance) P-C4' energy: -158.182 flat angles C4'-P-C4' energy: -159.978 flat angles P-C4'-P energy: -89.913 tors. eta vs tors. theta energy: -161.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -2033.147645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.147645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.147645 (E_RNA) where: Base-Base interactions energy: -1420.856 where: short stacking energy: -588.164 Base-Backbone interact. energy: 6.982 local terms energy: -619.273544 where: bonds (distance) C4'-P energy: -126.151 bonds (distance) P-C4' energy: -131.102 flat angles C4'-P-C4' energy: -150.509 flat angles P-C4'-P energy: -90.778 tors. eta vs tors. theta energy: -120.734 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: 6 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1662.685168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.685168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.685168 (E_RNA) where: Base-Base interactions energy: -1139.251 where: short stacking energy: -485.588 Base-Backbone interact. energy: 2.636 local terms energy: -526.069460 where: bonds (distance) C4'-P energy: -110.297 bonds (distance) P-C4' energy: -132.108 flat angles C4'-P-C4' energy: -127.052 flat angles P-C4'-P energy: -85.552 tors. eta vs tors. theta energy: -71.062 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: 5 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1691.002005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.002005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.002005 (E_RNA) where: Base-Base interactions energy: -1134.871 where: short stacking energy: -495.203 Base-Backbone interact. energy: 2.857 local terms energy: -558.988696 where: bonds (distance) C4'-P energy: -117.795 bonds (distance) P-C4' energy: -138.453 flat angles C4'-P-C4' energy: -134.131 flat angles P-C4'-P energy: -92.174 tors. eta vs tors. theta energy: -76.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3027.198047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.198047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.198047 (E_RNA) where: Base-Base interactions energy: -2123.905 where: short stacking energy: -914.920 Base-Backbone interact. energy: -3.446 local terms energy: -899.847578 where: bonds (distance) C4'-P energy: -151.789 bonds (distance) P-C4' energy: -164.362 flat angles C4'-P-C4' energy: -188.268 flat angles P-C4'-P energy: -130.928 tors. eta vs tors. theta energy: -264.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2959.634557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.634557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.634557 (E_RNA) where: Base-Base interactions energy: -2102.181 where: short stacking energy: -880.110 Base-Backbone interact. energy: -3.888 local terms energy: -853.565138 where: bonds (distance) C4'-P energy: -159.773 bonds (distance) P-C4' energy: -153.047 flat angles C4'-P-C4' energy: -178.034 flat angles P-C4'-P energy: -125.841 tors. eta vs tors. theta energy: -236.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2874.917122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.917122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.917122 (E_RNA) where: Base-Base interactions energy: -2085.244 where: short stacking energy: -841.958 Base-Backbone interact. energy: -4.557 local terms energy: -785.115919 where: bonds (distance) C4'-P energy: -149.159 bonds (distance) P-C4' energy: -152.616 flat angles C4'-P-C4' energy: -162.841 flat angles P-C4'-P energy: -114.033 tors. eta vs tors. theta energy: -206.467 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: 3 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2717.978341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.978341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.978341 (E_RNA) where: Base-Base interactions energy: -1941.607 where: short stacking energy: -809.267 Base-Backbone interact. energy: -6.102 local terms energy: -770.269163 where: bonds (distance) C4'-P energy: -130.001 bonds (distance) P-C4' energy: -141.178 flat angles C4'-P-C4' energy: -182.023 flat angles P-C4'-P energy: -104.175 tors. eta vs tors. theta energy: -212.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2594.564715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.564715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.564715 (E_RNA) where: Base-Base interactions energy: -1853.011 where: short stacking energy: -763.984 Base-Backbone interact. energy: -0.598 local terms energy: -740.955585 where: bonds (distance) C4'-P energy: -143.789 bonds (distance) P-C4' energy: -162.923 flat angles C4'-P-C4' energy: -143.013 flat angles P-C4'-P energy: -95.504 tors. eta vs tors. theta energy: -195.728 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: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2336.811258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.811258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.811258 (E_RNA) where: Base-Base interactions energy: -1658.583 where: short stacking energy: -684.677 Base-Backbone interact. energy: -9.182 local terms energy: -669.047145 where: bonds (distance) C4'-P energy: -120.886 bonds (distance) P-C4' energy: -142.771 flat angles C4'-P-C4' energy: -155.619 flat angles P-C4'-P energy: -99.320 tors. eta vs tors. theta energy: -150.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2179.675290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.675290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.675290 (E_RNA) where: Base-Base interactions energy: -1501.946 where: short stacking energy: -655.088 Base-Backbone interact. energy: -4.271 local terms energy: -673.458174 where: bonds (distance) C4'-P energy: -121.293 bonds (distance) P-C4' energy: -142.083 flat angles C4'-P-C4' energy: -151.774 flat angles P-C4'-P energy: -103.602 tors. eta vs tors. theta energy: -154.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -2032.278785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.278785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.278785 (E_RNA) where: Base-Base interactions energy: -1389.879 where: short stacking energy: -571.724 Base-Backbone interact. energy: 0.473 local terms energy: -642.872423 where: bonds (distance) C4'-P energy: -122.199 bonds (distance) P-C4' energy: -138.876 flat angles C4'-P-C4' energy: -152.426 flat angles P-C4'-P energy: -100.014 tors. eta vs tors. theta energy: -129.359 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: 6 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1695.091831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.091831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.091831 (E_RNA) where: Base-Base interactions energy: -1144.383 where: short stacking energy: -526.194 Base-Backbone interact. energy: -3.303 local terms energy: -547.405545 where: bonds (distance) C4'-P energy: -131.145 bonds (distance) P-C4' energy: -112.456 flat angles C4'-P-C4' energy: -139.975 flat angles P-C4'-P energy: -63.704 tors. eta vs tors. theta energy: -100.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1588.624695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.624695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.624695 (E_RNA) where: Base-Base interactions energy: -1056.775 where: short stacking energy: -455.683 Base-Backbone interact. energy: -2.181 local terms energy: -529.668430 where: bonds (distance) C4'-P energy: -145.757 bonds (distance) P-C4' energy: -98.430 flat angles C4'-P-C4' energy: -140.534 flat angles P-C4'-P energy: -75.464 tors. eta vs tors. theta energy: -69.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3027.321653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.321653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.321653 (E_RNA) where: Base-Base interactions energy: -2166.537 where: short stacking energy: -921.494 Base-Backbone interact. energy: -2.280 local terms energy: -858.505251 where: bonds (distance) C4'-P energy: -145.850 bonds (distance) P-C4' energy: -165.494 flat angles C4'-P-C4' energy: -173.181 flat angles P-C4'-P energy: -115.447 tors. eta vs tors. theta energy: -258.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2953.291775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.291775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.291775 (E_RNA) where: Base-Base interactions energy: -2108.909 where: short stacking energy: -903.228 Base-Backbone interact. energy: -4.718 local terms energy: -839.664820 where: bonds (distance) C4'-P energy: -149.220 bonds (distance) P-C4' energy: -148.749 flat angles C4'-P-C4' energy: -178.724 flat angles P-C4'-P energy: -127.748 tors. eta vs tors. theta energy: -235.223 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: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2823.259699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.259699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.259699 (E_RNA) where: Base-Base interactions energy: -2031.942 where: short stacking energy: -809.704 Base-Backbone interact. energy: -2.004 local terms energy: -789.314230 where: bonds (distance) C4'-P energy: -144.223 bonds (distance) P-C4' energy: -149.022 flat angles C4'-P-C4' energy: -187.261 flat angles P-C4'-P energy: -103.998 tors. eta vs tors. theta energy: -204.810 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: 4, replica: 3 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2720.922881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.922881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.922881 (E_RNA) where: Base-Base interactions energy: -1946.691 where: short stacking energy: -793.646 Base-Backbone interact. energy: -2.919 local terms energy: -771.313095 where: bonds (distance) C4'-P energy: -145.437 bonds (distance) P-C4' energy: -145.260 flat angles C4'-P-C4' energy: -171.343 flat angles P-C4'-P energy: -97.029 tors. eta vs tors. theta energy: -212.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2536.061101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.061101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.061101 (E_RNA) where: Base-Base interactions energy: -1813.648 where: short stacking energy: -766.697 Base-Backbone interact. energy: 0.128 local terms energy: -722.541330 where: bonds (distance) C4'-P energy: -137.585 bonds (distance) P-C4' energy: -134.060 flat angles C4'-P-C4' energy: -161.241 flat angles P-C4'-P energy: -102.224 tors. eta vs tors. theta energy: -187.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2342.776247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.776247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.776247 (E_RNA) where: Base-Base interactions energy: -1633.174 where: short stacking energy: -676.657 Base-Backbone interact. energy: 2.946 local terms energy: -712.548763 where: bonds (distance) C4'-P energy: -139.630 bonds (distance) P-C4' energy: -152.555 flat angles C4'-P-C4' energy: -161.746 flat angles P-C4'-P energy: -89.283 tors. eta vs tors. theta energy: -169.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2114.258130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.258130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.258130 (E_RNA) where: Base-Base interactions energy: -1486.733 where: short stacking energy: -643.066 Base-Backbone interact. energy: 2.231 local terms energy: -629.756367 where: bonds (distance) C4'-P energy: -113.658 bonds (distance) P-C4' energy: -140.659 flat angles C4'-P-C4' energy: -147.413 flat angles P-C4'-P energy: -88.946 tors. eta vs tors. theta energy: -139.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -2034.478438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.478438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.478438 (E_RNA) where: Base-Base interactions energy: -1422.180 where: short stacking energy: -589.706 Base-Backbone interact. energy: -1.053 local terms energy: -611.245658 where: bonds (distance) C4'-P energy: -122.389 bonds (distance) P-C4' energy: -136.428 flat angles C4'-P-C4' energy: -140.382 flat angles P-C4'-P energy: -74.013 tors. eta vs tors. theta energy: -138.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1656.831179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.831179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.831179 (E_RNA) where: Base-Base interactions energy: -1135.840 where: short stacking energy: -495.866 Base-Backbone interact. energy: 1.074 local terms energy: -522.065096 where: bonds (distance) C4'-P energy: -128.246 bonds (distance) P-C4' energy: -122.897 flat angles C4'-P-C4' energy: -100.237 flat angles P-C4'-P energy: -80.685 tors. eta vs tors. theta energy: -90.000 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: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1517.013279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.013279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.013279 (E_RNA) where: Base-Base interactions energy: -990.755 where: short stacking energy: -439.941 Base-Backbone interact. energy: 4.221 local terms energy: -530.479289 where: bonds (distance) C4'-P energy: -138.899 bonds (distance) P-C4' energy: -118.575 flat angles C4'-P-C4' energy: -113.541 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -77.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3064.813854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.813854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.813854 (E_RNA) where: Base-Base interactions energy: -2167.019 where: short stacking energy: -922.140 Base-Backbone interact. energy: -7.445 local terms energy: -890.349977 where: bonds (distance) C4'-P energy: -159.324 bonds (distance) P-C4' energy: -164.457 flat angles C4'-P-C4' energy: -186.883 flat angles P-C4'-P energy: -110.967 tors. eta vs tors. theta energy: -268.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2979.999969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.999969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.999969 (E_RNA) where: Base-Base interactions energy: -2096.856 where: short stacking energy: -877.964 Base-Backbone interact. energy: -7.158 local terms energy: -875.986650 where: bonds (distance) C4'-P energy: -146.995 bonds (distance) P-C4' energy: -163.869 flat angles C4'-P-C4' energy: -193.761 flat angles P-C4'-P energy: -133.890 tors. eta vs tors. theta energy: -237.471 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: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2852.212296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.212296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.212296 (E_RNA) where: Base-Base interactions energy: -2046.730 where: short stacking energy: -829.326 Base-Backbone interact. energy: 0.773 local terms energy: -806.255080 where: bonds (distance) C4'-P energy: -137.767 bonds (distance) P-C4' energy: -154.900 flat angles C4'-P-C4' energy: -175.435 flat angles P-C4'-P energy: -125.488 tors. eta vs tors. theta energy: -212.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2689.873028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.873028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.873028 (E_RNA) where: Base-Base interactions energy: -1909.729 where: short stacking energy: -786.379 Base-Backbone interact. energy: -2.874 local terms energy: -777.269959 where: bonds (distance) C4'-P energy: -147.637 bonds (distance) P-C4' energy: -152.439 flat angles C4'-P-C4' energy: -163.049 flat angles P-C4'-P energy: -109.844 tors. eta vs tors. theta energy: -204.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2552.904880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.904880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.904880 (E_RNA) where: Base-Base interactions energy: -1818.631 where: short stacking energy: -761.208 Base-Backbone interact. energy: -2.653 local terms energy: -731.620559 where: bonds (distance) C4'-P energy: -135.000 bonds (distance) P-C4' energy: -154.228 flat angles C4'-P-C4' energy: -149.130 flat angles P-C4'-P energy: -107.175 tors. eta vs tors. theta energy: -186.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2304.069262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.069262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.069262 (E_RNA) where: Base-Base interactions energy: -1568.459 where: short stacking energy: -666.120 Base-Backbone interact. energy: -7.641 local terms energy: -727.969549 where: bonds (distance) C4'-P energy: -145.676 bonds (distance) P-C4' energy: -141.543 flat angles C4'-P-C4' energy: -165.048 flat angles P-C4'-P energy: -113.047 tors. eta vs tors. theta energy: -162.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2117.508273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.508273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.508273 (E_RNA) where: Base-Base interactions energy: -1490.549 where: short stacking energy: -640.334 Base-Backbone interact. energy: -1.561 local terms energy: -625.398374 where: bonds (distance) C4'-P energy: -121.707 bonds (distance) P-C4' energy: -120.665 flat angles C4'-P-C4' energy: -150.898 flat angles P-C4'-P energy: -70.916 tors. eta vs tors. theta energy: -161.212 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: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -2040.925599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.925599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.925599 (E_RNA) where: Base-Base interactions energy: -1446.547 where: short stacking energy: -609.350 Base-Backbone interact. energy: -1.800 local terms energy: -592.578325 where: bonds (distance) C4'-P energy: -102.448 bonds (distance) P-C4' energy: -118.733 flat angles C4'-P-C4' energy: -139.760 flat angles P-C4'-P energy: -85.441 tors. eta vs tors. theta energy: -146.197 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: 6 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1676.589034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.589034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.589034 (E_RNA) where: Base-Base interactions energy: -1116.503 where: short stacking energy: -506.435 Base-Backbone interact. energy: -4.112 local terms energy: -555.973298 where: bonds (distance) C4'-P energy: -117.172 bonds (distance) P-C4' energy: -132.522 flat angles C4'-P-C4' energy: -136.081 flat angles P-C4'-P energy: -63.154 tors. eta vs tors. theta energy: -107.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1577.931518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.931518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.931518 (E_RNA) where: Base-Base interactions energy: -1066.122 where: short stacking energy: -458.567 Base-Backbone interact. energy: 2.531 local terms energy: -514.340066 where: bonds (distance) C4'-P energy: -135.487 bonds (distance) P-C4' energy: -109.289 flat angles C4'-P-C4' energy: -104.008 flat angles P-C4'-P energy: -72.778 tors. eta vs tors. theta energy: -92.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3057.047739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.047739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.047739 (E_RNA) where: Base-Base interactions energy: -2171.879 where: short stacking energy: -917.869 Base-Backbone interact. energy: -7.145 local terms energy: -878.023667 where: bonds (distance) C4'-P energy: -151.963 bonds (distance) P-C4' energy: -142.071 flat angles C4'-P-C4' energy: -192.684 flat angles P-C4'-P energy: -125.372 tors. eta vs tors. theta energy: -265.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -3021.082408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.082408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.082408 (E_RNA) where: Base-Base interactions energy: -2169.211 where: short stacking energy: -895.777 Base-Backbone interact. energy: -4.656 local terms energy: -847.215394 where: bonds (distance) C4'-P energy: -142.381 bonds (distance) P-C4' energy: -159.921 flat angles C4'-P-C4' energy: -188.219 flat angles P-C4'-P energy: -111.495 tors. eta vs tors. theta energy: -245.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2874.960796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.960796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.960796 (E_RNA) where: Base-Base interactions energy: -2072.467 where: short stacking energy: -836.670 Base-Backbone interact. energy: -3.658 local terms energy: -798.835939 where: bonds (distance) C4'-P energy: -150.430 bonds (distance) P-C4' energy: -147.386 flat angles C4'-P-C4' energy: -165.790 flat angles P-C4'-P energy: -118.391 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: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2678.524421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.524421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.524421 (E_RNA) where: Base-Base interactions energy: -1897.538 where: short stacking energy: -789.232 Base-Backbone interact. energy: -4.877 local terms energy: -776.109676 where: bonds (distance) C4'-P energy: -144.978 bonds (distance) P-C4' energy: -138.779 flat angles C4'-P-C4' energy: -172.546 flat angles P-C4'-P energy: -108.403 tors. eta vs tors. theta energy: -211.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2492.926275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.926275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.926275 (E_RNA) where: Base-Base interactions energy: -1741.533 where: short stacking energy: -713.159 Base-Backbone interact. energy: -5.897 local terms energy: -745.496378 where: bonds (distance) C4'-P energy: -137.369 bonds (distance) P-C4' energy: -163.304 flat angles C4'-P-C4' energy: -154.053 flat angles P-C4'-P energy: -110.256 tors. eta vs tors. theta energy: -180.515 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: 6, replica: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2272.497439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.497439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.497439 (E_RNA) where: Base-Base interactions energy: -1600.833 where: short stacking energy: -656.992 Base-Backbone interact. energy: -0.602 local terms energy: -671.061772 where: bonds (distance) C4'-P energy: -122.318 bonds (distance) P-C4' energy: -136.536 flat angles C4'-P-C4' energy: -152.403 flat angles P-C4'-P energy: -116.874 tors. eta vs tors. theta energy: -142.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2098.111677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.111677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.111677 (E_RNA) where: Base-Base interactions energy: -1455.616 where: short stacking energy: -652.941 Base-Backbone interact. energy: -0.073 local terms energy: -642.422253 where: bonds (distance) C4'-P energy: -113.103 bonds (distance) P-C4' energy: -126.593 flat angles C4'-P-C4' energy: -169.948 flat angles P-C4'-P energy: -83.784 tors. eta vs tors. theta energy: -148.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -2021.346928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.346928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.346928 (E_RNA) where: Base-Base interactions energy: -1407.388 where: short stacking energy: -588.886 Base-Backbone interact. energy: 0.971 local terms energy: -614.929227 where: bonds (distance) C4'-P energy: -119.641 bonds (distance) P-C4' energy: -124.742 flat angles C4'-P-C4' energy: -143.665 flat angles P-C4'-P energy: -94.796 tors. eta vs tors. theta energy: -132.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1690.137447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.137447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.137447 (E_RNA) where: Base-Base interactions energy: -1151.701 where: short stacking energy: -502.594 Base-Backbone interact. energy: -1.371 local terms energy: -537.065341 where: bonds (distance) C4'-P energy: -102.949 bonds (distance) P-C4' energy: -129.193 flat angles C4'-P-C4' energy: -145.399 flat angles P-C4'-P energy: -75.528 tors. eta vs tors. theta energy: -83.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1595.731854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.731854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.731854 (E_RNA) where: Base-Base interactions energy: -1060.411 where: short stacking energy: -446.096 Base-Backbone interact. energy: -3.409 local terms energy: -531.912311 where: bonds (distance) C4'-P energy: -130.327 bonds (distance) P-C4' energy: -121.066 flat angles C4'-P-C4' energy: -139.960 flat angles P-C4'-P energy: -65.438 tors. eta vs tors. theta energy: -75.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3039.261837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.261837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.261837 (E_RNA) where: Base-Base interactions energy: -2141.216 where: short stacking energy: -894.300 Base-Backbone interact. energy: -1.653 local terms energy: -896.392858 where: bonds (distance) C4'-P energy: -153.824 bonds (distance) P-C4' energy: -163.039 flat angles C4'-P-C4' energy: -182.565 flat angles P-C4'-P energy: -138.788 tors. eta vs tors. theta energy: -258.176 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: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2984.707027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.707027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.707027 (E_RNA) where: Base-Base interactions energy: -2130.524 where: short stacking energy: -878.993 Base-Backbone interact. energy: -0.574 local terms energy: -853.609449 where: bonds (distance) C4'-P energy: -157.838 bonds (distance) P-C4' energy: -150.346 flat angles C4'-P-C4' energy: -180.046 flat angles P-C4'-P energy: -123.839 tors. eta vs tors. theta energy: -241.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2839.631613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.631613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.631613 (E_RNA) where: Base-Base interactions energy: -2048.542 where: short stacking energy: -849.046 Base-Backbone interact. energy: -0.645 local terms energy: -790.444579 where: bonds (distance) C4'-P energy: -133.322 bonds (distance) P-C4' energy: -148.044 flat angles C4'-P-C4' energy: -172.404 flat angles P-C4'-P energy: -122.122 tors. eta vs tors. theta energy: -214.552 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: 3 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2670.238747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.238747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.238747 (E_RNA) where: Base-Base interactions energy: -1888.150 where: short stacking energy: -789.038 Base-Backbone interact. energy: -2.475 local terms energy: -779.613821 where: bonds (distance) C4'-P energy: -134.602 bonds (distance) P-C4' energy: -156.852 flat angles C4'-P-C4' energy: -181.240 flat angles P-C4'-P energy: -106.001 tors. eta vs tors. theta energy: -200.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2521.206170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.206170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.206170 (E_RNA) where: Base-Base interactions energy: -1825.369 where: short stacking energy: -756.532 Base-Backbone interact. energy: -3.314 local terms energy: -692.522748 where: bonds (distance) C4'-P energy: -111.469 bonds (distance) P-C4' energy: -130.078 flat angles C4'-P-C4' energy: -156.952 flat angles P-C4'-P energy: -103.347 tors. eta vs tors. theta energy: -190.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2327.109938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.109938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.109938 (E_RNA) where: Base-Base interactions energy: -1613.757 where: short stacking energy: -641.621 Base-Backbone interact. energy: 0.470 local terms energy: -713.822831 where: bonds (distance) C4'-P energy: -158.105 bonds (distance) P-C4' energy: -130.166 flat angles C4'-P-C4' energy: -154.851 flat angles P-C4'-P energy: -109.432 tors. eta vs tors. theta energy: -161.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2167.609207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.609207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.609207 (E_RNA) where: Base-Base interactions energy: -1511.658 where: short stacking energy: -666.984 Base-Backbone interact. energy: -3.649 local terms energy: -652.301586 where: bonds (distance) C4'-P energy: -142.277 bonds (distance) P-C4' energy: -120.765 flat angles C4'-P-C4' energy: -147.903 flat angles P-C4'-P energy: -79.713 tors. eta vs tors. theta energy: -161.644 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: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1986.933953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.933953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.933953 (E_RNA) where: Base-Base interactions energy: -1365.367 where: short stacking energy: -595.192 Base-Backbone interact. energy: 0.021 local terms energy: -621.588244 where: bonds (distance) C4'-P energy: -131.169 bonds (distance) P-C4' energy: -119.600 flat angles C4'-P-C4' energy: -140.216 flat angles P-C4'-P energy: -92.056 tors. eta vs tors. theta energy: -138.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1635.826026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.826026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.826026 (E_RNA) where: Base-Base interactions energy: -1096.437 where: short stacking energy: -496.128 Base-Backbone interact. energy: 4.591 local terms energy: -543.980046 where: bonds (distance) C4'-P energy: -116.519 bonds (distance) P-C4' energy: -108.324 flat angles C4'-P-C4' energy: -144.435 flat angles P-C4'-P energy: -82.652 tors. eta vs tors. theta energy: -92.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1508.391347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.391347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.391347 (E_RNA) where: Base-Base interactions energy: -984.827 where: short stacking energy: -437.312 Base-Backbone interact. energy: 1.151 local terms energy: -524.715563 where: bonds (distance) C4'-P energy: -127.833 bonds (distance) P-C4' energy: -129.899 flat angles C4'-P-C4' energy: -111.815 flat angles P-C4'-P energy: -75.632 tors. eta vs tors. theta energy: -79.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3049.653334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.653334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.653334 (E_RNA) where: Base-Base interactions energy: -2171.804 where: short stacking energy: -910.302 Base-Backbone interact. energy: -2.484 local terms energy: -875.365688 where: bonds (distance) C4'-P energy: -157.808 bonds (distance) P-C4' energy: -153.293 flat angles C4'-P-C4' energy: -180.772 flat angles P-C4'-P energy: -126.714 tors. eta vs tors. theta energy: -256.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2983.319531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.319531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.319531 (E_RNA) where: Base-Base interactions energy: -2146.116 where: short stacking energy: -884.588 Base-Backbone interact. energy: -3.476 local terms energy: -833.727061 where: bonds (distance) C4'-P energy: -147.029 bonds (distance) P-C4' energy: -145.058 flat angles C4'-P-C4' energy: -176.732 flat angles P-C4'-P energy: -120.132 tors. eta vs tors. theta energy: -244.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2826.522855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.522855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.522855 (E_RNA) where: Base-Base interactions energy: -2026.877 where: short stacking energy: -834.699 Base-Backbone interact. energy: -3.459 local terms energy: -796.186395 where: bonds (distance) C4'-P energy: -151.636 bonds (distance) P-C4' energy: -163.193 flat angles C4'-P-C4' energy: -159.467 flat angles P-C4'-P energy: -116.603 tors. eta vs tors. theta energy: -205.287 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: 259 Temperature: 1.050000 Total energy: -2688.121056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.121056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.121056 (E_RNA) where: Base-Base interactions energy: -1892.448 where: short stacking energy: -792.271 Base-Backbone interact. energy: -1.049 local terms energy: -794.624435 where: bonds (distance) C4'-P energy: -166.221 bonds (distance) P-C4' energy: -143.105 flat angles C4'-P-C4' energy: -172.077 flat angles P-C4'-P energy: -91.646 tors. eta vs tors. theta energy: -221.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2574.697700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.697700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.697700 (E_RNA) where: Base-Base interactions energy: -1844.124 where: short stacking energy: -762.332 Base-Backbone interact. energy: -2.659 local terms energy: -727.913923 where: bonds (distance) C4'-P energy: -141.313 bonds (distance) P-C4' energy: -140.808 flat angles C4'-P-C4' energy: -152.592 flat angles P-C4'-P energy: -109.376 tors. eta vs tors. theta energy: -183.825 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: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2358.495993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.495993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.495993 (E_RNA) where: Base-Base interactions energy: -1675.812 where: short stacking energy: -691.719 Base-Backbone interact. energy: 1.709 local terms energy: -684.392676 where: bonds (distance) C4'-P energy: -129.267 bonds (distance) P-C4' energy: -129.588 flat angles C4'-P-C4' energy: -164.851 flat angles P-C4'-P energy: -100.774 tors. eta vs tors. theta energy: -159.913 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: 2 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2162.029975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.029975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.029975 (E_RNA) where: Base-Base interactions energy: -1507.209 where: short stacking energy: -625.356 Base-Backbone interact. energy: -0.598 local terms energy: -654.222859 where: bonds (distance) C4'-P energy: -113.270 bonds (distance) P-C4' energy: -140.473 flat angles C4'-P-C4' energy: -157.645 flat angles P-C4'-P energy: -94.484 tors. eta vs tors. theta energy: -148.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -2088.520044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.520044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.520044 (E_RNA) where: Base-Base interactions energy: -1468.156 where: short stacking energy: -640.890 Base-Backbone interact. energy: 2.224 local terms energy: -622.588558 where: bonds (distance) C4'-P energy: -134.712 bonds (distance) P-C4' energy: -122.568 flat angles C4'-P-C4' energy: -139.152 flat angles P-C4'-P energy: -80.705 tors. eta vs tors. theta energy: -145.452 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: 5 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1700.709407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.709407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.709407 (E_RNA) where: Base-Base interactions energy: -1116.185 where: short stacking energy: -502.138 Base-Backbone interact. energy: -2.200 local terms energy: -582.323721 where: bonds (distance) C4'-P energy: -130.379 bonds (distance) P-C4' energy: -132.428 flat angles C4'-P-C4' energy: -127.191 flat angles P-C4'-P energy: -89.819 tors. eta vs tors. theta energy: -102.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1470.782193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.782193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.782193 (E_RNA) where: Base-Base interactions energy: -961.233 where: short stacking energy: -456.690 Base-Backbone interact. energy: -1.460 local terms energy: -508.088537 where: bonds (distance) C4'-P energy: -102.946 bonds (distance) P-C4' energy: -118.305 flat angles C4'-P-C4' energy: -137.380 flat angles P-C4'-P energy: -70.118 tors. eta vs tors. theta energy: -79.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3098.903286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.903286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.903286 (E_RNA) where: Base-Base interactions energy: -2189.126 where: short stacking energy: -921.061 Base-Backbone interact. energy: -3.992 local terms energy: -905.785499 where: bonds (distance) C4'-P energy: -156.748 bonds (distance) P-C4' energy: -158.106 flat angles C4'-P-C4' energy: -185.762 flat angles P-C4'-P energy: -142.787 tors. eta vs tors. theta energy: -262.382 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: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2989.623707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.623707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.623707 (E_RNA) where: Base-Base interactions energy: -2122.426 where: short stacking energy: -864.311 Base-Backbone interact. energy: -4.663 local terms energy: -862.534362 where: bonds (distance) C4'-P energy: -154.476 bonds (distance) P-C4' energy: -162.654 flat angles C4'-P-C4' energy: -180.630 flat angles P-C4'-P energy: -127.816 tors. eta vs tors. theta energy: -236.959 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: 260 Temperature: 1.000000 Total energy: -2819.407198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.407198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.407198 (E_RNA) where: Base-Base interactions energy: -2033.471 where: short stacking energy: -840.119 Base-Backbone interact. energy: -1.413 local terms energy: -784.523507 where: bonds (distance) C4'-P energy: -138.360 bonds (distance) P-C4' energy: -157.140 flat angles C4'-P-C4' energy: -167.726 flat angles P-C4'-P energy: -110.042 tors. eta vs tors. theta energy: -211.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2697.415375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.415375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.415375 (E_RNA) where: Base-Base interactions energy: -1917.325 where: short stacking energy: -810.333 Base-Backbone interact. energy: 0.318 local terms energy: -780.408786 where: bonds (distance) C4'-P energy: -133.042 bonds (distance) P-C4' energy: -154.943 flat angles C4'-P-C4' energy: -182.683 flat angles P-C4'-P energy: -90.133 tors. eta vs tors. theta energy: -219.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2595.398215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.398215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.398215 (E_RNA) where: Base-Base interactions energy: -1874.934 where: short stacking energy: -764.671 Base-Backbone interact. energy: 2.251 local terms energy: -722.714840 where: bonds (distance) C4'-P energy: -128.273 bonds (distance) P-C4' energy: -152.335 flat angles C4'-P-C4' energy: -152.694 flat angles P-C4'-P energy: -113.438 tors. eta vs tors. theta energy: -175.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2355.186692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.186692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.186692 (E_RNA) where: Base-Base interactions energy: -1638.303 where: short stacking energy: -707.729 Base-Backbone interact. energy: 0.581 local terms energy: -717.464971 where: bonds (distance) C4'-P energy: -133.630 bonds (distance) P-C4' energy: -135.139 flat angles C4'-P-C4' energy: -159.331 flat angles P-C4'-P energy: -110.977 tors. eta vs tors. theta energy: -178.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -2141.658570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.658570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.658570 (E_RNA) where: Base-Base interactions energy: -1500.762 where: short stacking energy: -667.870 Base-Backbone interact. energy: -2.732 local terms energy: -638.164113 where: bonds (distance) C4'-P energy: -121.040 bonds (distance) P-C4' energy: -119.382 flat angles C4'-P-C4' energy: -163.911 flat angles P-C4'-P energy: -84.289 tors. eta vs tors. theta energy: -149.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -2101.984571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.984571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.984571 (E_RNA) where: Base-Base interactions energy: -1444.764 where: short stacking energy: -650.100 Base-Backbone interact. energy: -0.945 local terms energy: -656.276034 where: bonds (distance) C4'-P energy: -122.401 bonds (distance) P-C4' energy: -133.980 flat angles C4'-P-C4' energy: -146.952 flat angles P-C4'-P energy: -106.429 tors. eta vs tors. theta energy: -146.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1736.265973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.265973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.265973 (E_RNA) where: Base-Base interactions energy: -1150.189 where: short stacking energy: -456.295 Base-Backbone interact. energy: -1.807 local terms energy: -584.269678 where: bonds (distance) C4'-P energy: -117.721 bonds (distance) P-C4' energy: -144.443 flat angles C4'-P-C4' energy: -151.518 flat angles P-C4'-P energy: -79.998 tors. eta vs tors. theta energy: -90.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1610.966893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.966893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.966893 (E_RNA) where: Base-Base interactions energy: -1084.488 where: short stacking energy: -488.066 Base-Backbone interact. energy: 1.355 local terms energy: -527.834151 where: bonds (distance) C4'-P energy: -128.516 bonds (distance) P-C4' energy: -129.000 flat angles C4'-P-C4' energy: -109.291 flat angles P-C4'-P energy: -61.691 tors. eta vs tors. theta energy: -99.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3073.251421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.251421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.251421 (E_RNA) where: Base-Base interactions energy: -2175.638 where: short stacking energy: -908.862 Base-Backbone interact. energy: -3.900 local terms energy: -893.713047 where: bonds (distance) C4'-P energy: -159.250 bonds (distance) P-C4' energy: -170.125 flat angles C4'-P-C4' energy: -180.642 flat angles P-C4'-P energy: -121.870 tors. eta vs tors. theta energy: -261.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2979.803522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.803522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.803522 (E_RNA) where: Base-Base interactions energy: -2155.676 where: short stacking energy: -878.890 Base-Backbone interact. energy: -4.863 local terms energy: -819.264141 where: bonds (distance) C4'-P energy: -135.244 bonds (distance) P-C4' energy: -150.987 flat angles C4'-P-C4' energy: -181.879 flat angles P-C4'-P energy: -115.917 tors. eta vs tors. theta energy: -235.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2807.575931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.575931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.575931 (E_RNA) where: Base-Base interactions energy: -2031.964 where: short stacking energy: -843.108 Base-Backbone interact. energy: -0.224 local terms energy: -775.387361 where: bonds (distance) C4'-P energy: -126.118 bonds (distance) P-C4' energy: -153.746 flat angles C4'-P-C4' energy: -169.878 flat angles P-C4'-P energy: -121.670 tors. eta vs tors. theta energy: -203.975 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: 3 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2673.632999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.632999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.632999 (E_RNA) where: Base-Base interactions energy: -1897.711 where: short stacking energy: -803.670 Base-Backbone interact. energy: -1.572 local terms energy: -774.350383 where: bonds (distance) C4'-P energy: -146.617 bonds (distance) P-C4' energy: -149.609 flat angles C4'-P-C4' energy: -157.835 flat angles P-C4'-P energy: -114.022 tors. eta vs tors. theta energy: -206.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2576.842689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.842689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.842689 (E_RNA) where: Base-Base interactions energy: -1838.975 where: short stacking energy: -741.609 Base-Backbone interact. energy: -5.895 local terms energy: -731.973147 where: bonds (distance) C4'-P energy: -131.130 bonds (distance) P-C4' energy: -145.413 flat angles C4'-P-C4' energy: -175.729 flat angles P-C4'-P energy: -100.824 tors. eta vs tors. theta energy: -178.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2344.567600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.567600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.567600 (E_RNA) where: Base-Base interactions energy: -1643.914 where: short stacking energy: -716.189 Base-Backbone interact. energy: -4.097 local terms energy: -696.556841 where: bonds (distance) C4'-P energy: -141.444 bonds (distance) P-C4' energy: -122.946 flat angles C4'-P-C4' energy: -162.997 flat angles P-C4'-P energy: -98.420 tors. eta vs tors. theta energy: -170.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2117.708566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.708566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.708566 (E_RNA) where: Base-Base interactions energy: -1451.830 where: short stacking energy: -635.828 Base-Backbone interact. energy: -2.861 local terms energy: -663.018232 where: bonds (distance) C4'-P energy: -137.061 bonds (distance) P-C4' energy: -128.247 flat angles C4'-P-C4' energy: -155.058 flat angles P-C4'-P energy: -103.979 tors. eta vs tors. theta energy: -138.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -2145.855193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.855193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.855193 (E_RNA) where: Base-Base interactions energy: -1458.702 where: short stacking energy: -642.571 Base-Backbone interact. energy: 2.856 local terms energy: -690.008326 where: bonds (distance) C4'-P energy: -135.736 bonds (distance) P-C4' energy: -154.407 flat angles C4'-P-C4' energy: -145.405 flat angles P-C4'-P energy: -103.559 tors. eta vs tors. theta energy: -150.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1806.956715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.956715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.956715 (E_RNA) where: Base-Base interactions energy: -1263.543 where: short stacking energy: -516.502 Base-Backbone interact. energy: -3.637 local terms energy: -539.776490 where: bonds (distance) C4'-P energy: -104.641 bonds (distance) P-C4' energy: -144.203 flat angles C4'-P-C4' energy: -113.335 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -103.654 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: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1562.445076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.445076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.445076 (E_RNA) where: Base-Base interactions energy: -1033.949 where: short stacking energy: -449.390 Base-Backbone interact. energy: -2.993 local terms energy: -525.502398 where: bonds (distance) C4'-P energy: -127.844 bonds (distance) P-C4' energy: -128.547 flat angles C4'-P-C4' energy: -120.637 flat angles P-C4'-P energy: -65.298 tors. eta vs tors. theta energy: -83.177 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: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3045.799169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.799169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.799169 (E_RNA) where: Base-Base interactions energy: -2141.376 where: short stacking energy: -917.218 Base-Backbone interact. energy: -4.402 local terms energy: -900.021223 where: bonds (distance) C4'-P energy: -160.636 bonds (distance) P-C4' energy: -168.144 flat angles C4'-P-C4' energy: -187.083 flat angles P-C4'-P energy: -120.034 tors. eta vs tors. theta energy: -264.125 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: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2976.675779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.675779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.675779 (E_RNA) where: Base-Base interactions energy: -2108.817 where: short stacking energy: -868.652 Base-Backbone interact. energy: -0.469 local terms energy: -867.389390 where: bonds (distance) C4'-P energy: -147.825 bonds (distance) P-C4' energy: -165.894 flat angles C4'-P-C4' energy: -178.383 flat angles P-C4'-P energy: -131.349 tors. eta vs tors. theta energy: -243.938 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: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2829.762937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.762937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.762937 (E_RNA) where: Base-Base interactions energy: -2038.748 where: short stacking energy: -824.048 Base-Backbone interact. energy: 0.261 local terms energy: -791.276204 where: bonds (distance) C4'-P energy: -134.153 bonds (distance) P-C4' energy: -154.826 flat angles C4'-P-C4' energy: -167.481 flat angles P-C4'-P energy: -120.346 tors. eta vs tors. theta energy: -214.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2708.559075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.559075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.559075 (E_RNA) where: Base-Base interactions energy: -1937.269 where: short stacking energy: -797.711 Base-Backbone interact. energy: -2.683 local terms energy: -768.606959 where: bonds (distance) C4'-P energy: -135.378 bonds (distance) P-C4' energy: -136.794 flat angles C4'-P-C4' energy: -175.830 flat angles P-C4'-P energy: -109.662 tors. eta vs tors. theta energy: -210.942 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: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2545.551082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.551082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.551082 (E_RNA) where: Base-Base interactions energy: -1825.200 where: short stacking energy: -756.356 Base-Backbone interact. energy: 4.466 local terms energy: -724.817786 where: bonds (distance) C4'-P energy: -118.572 bonds (distance) P-C4' energy: -147.865 flat angles C4'-P-C4' energy: -157.387 flat angles P-C4'-P energy: -107.477 tors. eta vs tors. theta energy: -193.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2303.855901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.855901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.855901 (E_RNA) where: Base-Base interactions energy: -1632.022 where: short stacking energy: -659.379 Base-Backbone interact. energy: 0.447 local terms energy: -672.280692 where: bonds (distance) C4'-P energy: -129.133 bonds (distance) P-C4' energy: -138.921 flat angles C4'-P-C4' energy: -146.945 flat angles P-C4'-P energy: -106.509 tors. eta vs tors. theta energy: -150.773 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: 7, replica: 2 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2169.339610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.339610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.339610 (E_RNA) where: Base-Base interactions energy: -1472.285 where: short stacking energy: -638.217 Base-Backbone interact. energy: -1.204 local terms energy: -695.850706 where: bonds (distance) C4'-P energy: -133.100 bonds (distance) P-C4' energy: -126.791 flat angles C4'-P-C4' energy: -155.217 flat angles P-C4'-P energy: -116.901 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: 8, replica: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -2056.247571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.247571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.247571 (E_RNA) where: Base-Base interactions energy: -1433.392 where: short stacking energy: -625.836 Base-Backbone interact. energy: -2.513 local terms energy: -620.342517 where: bonds (distance) C4'-P energy: -118.745 bonds (distance) P-C4' energy: -124.645 flat angles C4'-P-C4' energy: -148.537 flat angles P-C4'-P energy: -98.303 tors. eta vs tors. theta energy: -130.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1679.235263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.235263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.235263 (E_RNA) where: Base-Base interactions energy: -1136.135 where: short stacking energy: -493.336 Base-Backbone interact. energy: -2.065 local terms energy: -541.035095 where: bonds (distance) C4'-P energy: -113.915 bonds (distance) P-C4' energy: -121.101 flat angles C4'-P-C4' energy: -145.063 flat angles P-C4'-P energy: -70.895 tors. eta vs tors. theta energy: -90.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1470.403639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.403639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.403639 (E_RNA) where: Base-Base interactions energy: -949.066 where: short stacking energy: -428.558 Base-Backbone interact. energy: -2.366 local terms energy: -518.971358 where: bonds (distance) C4'-P energy: -145.741 bonds (distance) P-C4' energy: -132.280 flat angles C4'-P-C4' energy: -121.462 flat angles P-C4'-P energy: -66.765 tors. eta vs tors. theta energy: -52.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3050.180845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.180845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.180845 (E_RNA) where: Base-Base interactions energy: -2151.006 where: short stacking energy: -910.025 Base-Backbone interact. energy: -1.658 local terms energy: -897.517378 where: bonds (distance) C4'-P energy: -148.856 bonds (distance) P-C4' energy: -165.924 flat angles C4'-P-C4' energy: -197.220 flat angles P-C4'-P energy: -131.409 tors. eta vs tors. theta energy: -254.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2956.645286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.645286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.645286 (E_RNA) where: Base-Base interactions energy: -2116.679 where: short stacking energy: -867.520 Base-Backbone interact. energy: -4.137 local terms energy: -835.829275 where: bonds (distance) C4'-P energy: -135.057 bonds (distance) P-C4' energy: -158.900 flat angles C4'-P-C4' energy: -174.681 flat angles P-C4'-P energy: -121.813 tors. eta vs tors. theta energy: -245.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2833.194952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.194952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.194952 (E_RNA) where: Base-Base interactions energy: -2021.746 where: short stacking energy: -828.198 Base-Backbone interact. energy: -1.440 local terms energy: -810.009462 where: bonds (distance) C4'-P energy: -143.283 bonds (distance) P-C4' energy: -162.892 flat angles C4'-P-C4' energy: -175.601 flat angles P-C4'-P energy: -129.586 tors. eta vs tors. theta energy: -198.647 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: 4, replica: 3 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2747.104452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.104452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.104452 (E_RNA) where: Base-Base interactions energy: -1955.655 where: short stacking energy: -821.111 Base-Backbone interact. energy: 4.867 local terms energy: -796.316418 where: bonds (distance) C4'-P energy: -155.371 bonds (distance) P-C4' energy: -122.083 flat angles C4'-P-C4' energy: -181.469 flat angles P-C4'-P energy: -119.232 tors. eta vs tors. theta energy: -218.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2536.009603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.009603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.009603 (E_RNA) where: Base-Base interactions energy: -1850.764 where: short stacking energy: -776.434 Base-Backbone interact. energy: -3.175 local terms energy: -682.071137 where: bonds (distance) C4'-P energy: -130.157 bonds (distance) P-C4' energy: -146.278 flat angles C4'-P-C4' energy: -135.721 flat angles P-C4'-P energy: -91.210 tors. eta vs tors. theta energy: -178.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2347.249410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.249410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.249410 (E_RNA) where: Base-Base interactions energy: -1673.822 where: short stacking energy: -668.743 Base-Backbone interact. energy: -0.295 local terms energy: -673.132653 where: bonds (distance) C4'-P energy: -124.109 bonds (distance) P-C4' energy: -129.541 flat angles C4'-P-C4' energy: -162.457 flat angles P-C4'-P energy: -104.588 tors. eta vs tors. theta energy: -152.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2190.711790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.711790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.711790 (E_RNA) where: Base-Base interactions energy: -1513.646 where: short stacking energy: -664.028 Base-Backbone interact. energy: -0.684 local terms energy: -676.381178 where: bonds (distance) C4'-P energy: -134.193 bonds (distance) P-C4' energy: -138.943 flat angles C4'-P-C4' energy: -150.082 flat angles P-C4'-P energy: -95.684 tors. eta vs tors. theta energy: -157.479 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: 8, replica: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -2088.817961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.817961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.817961 (E_RNA) where: Base-Base interactions energy: -1456.897 where: short stacking energy: -635.552 Base-Backbone interact. energy: 0.522 local terms energy: -632.442858 where: bonds (distance) C4'-P energy: -131.739 bonds (distance) P-C4' energy: -135.668 flat angles C4'-P-C4' energy: -125.939 flat angles P-C4'-P energy: -80.488 tors. eta vs tors. theta energy: -158.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1759.652651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.652651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.652651 (E_RNA) where: Base-Base interactions energy: -1188.463 where: short stacking energy: -518.736 Base-Backbone interact. energy: -0.749 local terms energy: -570.441065 where: bonds (distance) C4'-P energy: -102.345 bonds (distance) P-C4' energy: -125.310 flat angles C4'-P-C4' energy: -141.466 flat angles P-C4'-P energy: -87.447 tors. eta vs tors. theta energy: -113.873 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: 10, replica: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1435.465026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.465026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.465026 (E_RNA) where: Base-Base interactions energy: -935.413 where: short stacking energy: -377.087 Base-Backbone interact. energy: 6.206 local terms energy: -506.258100 where: bonds (distance) C4'-P energy: -136.481 bonds (distance) P-C4' energy: -136.536 flat angles C4'-P-C4' energy: -125.664 flat angles P-C4'-P energy: -53.131 tors. eta vs tors. theta energy: -54.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3082.640300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.640300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.640300 (E_RNA) where: Base-Base interactions energy: -2179.412 where: short stacking energy: -942.845 Base-Backbone interact. energy: -1.393 local terms energy: -901.834478 where: bonds (distance) C4'-P energy: -165.732 bonds (distance) P-C4' energy: -169.591 flat angles C4'-P-C4' energy: -192.486 flat angles P-C4'-P energy: -117.249 tors. eta vs tors. theta energy: -256.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2989.713702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.713702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.713702 (E_RNA) where: Base-Base interactions energy: -2134.228 where: short stacking energy: -908.988 Base-Backbone interact. energy: -0.799 local terms energy: -854.686375 where: bonds (distance) C4'-P energy: -146.870 bonds (distance) P-C4' energy: -148.981 flat angles C4'-P-C4' energy: -186.270 flat angles P-C4'-P energy: -128.188 tors. eta vs tors. theta energy: -244.377 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: 3, replica: 10 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2812.470934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.470934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.470934 (E_RNA) where: Base-Base interactions energy: -2000.676 where: short stacking energy: -848.804 Base-Backbone interact. energy: -2.376 local terms energy: -809.418583 where: bonds (distance) C4'-P energy: -156.792 bonds (distance) P-C4' energy: -148.564 flat angles C4'-P-C4' energy: -176.548 flat angles P-C4'-P energy: -122.901 tors. eta vs tors. theta energy: -204.613 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: 3 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2706.317748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.317748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.317748 (E_RNA) where: Base-Base interactions energy: -1936.975 where: short stacking energy: -790.186 Base-Backbone interact. energy: -2.592 local terms energy: -766.751217 where: bonds (distance) C4'-P energy: -136.818 bonds (distance) P-C4' energy: -136.909 flat angles C4'-P-C4' energy: -168.286 flat angles P-C4'-P energy: -111.820 tors. eta vs tors. theta energy: -212.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2521.479644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.479644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.479644 (E_RNA) where: Base-Base interactions energy: -1805.148 where: short stacking energy: -767.824 Base-Backbone interact. energy: -1.933 local terms energy: -714.398943 where: bonds (distance) C4'-P energy: -120.002 bonds (distance) P-C4' energy: -133.462 flat angles C4'-P-C4' energy: -166.494 flat angles P-C4'-P energy: -108.312 tors. eta vs tors. theta energy: -186.129 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: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2337.438124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.438124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.438124 (E_RNA) where: Base-Base interactions energy: -1646.160 where: short stacking energy: -685.127 Base-Backbone interact. energy: -4.743 local terms energy: -686.535415 where: bonds (distance) C4'-P energy: -134.745 bonds (distance) P-C4' energy: -145.378 flat angles C4'-P-C4' energy: -155.180 flat angles P-C4'-P energy: -95.865 tors. eta vs tors. theta energy: -155.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2238.801523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.801523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.801523 (E_RNA) where: Base-Base interactions energy: -1541.084 where: short stacking energy: -675.570 Base-Backbone interact. energy: -0.663 local terms energy: -697.054380 where: bonds (distance) C4'-P energy: -129.712 bonds (distance) P-C4' energy: -141.942 flat angles C4'-P-C4' energy: -140.837 flat angles P-C4'-P energy: -110.260 tors. eta vs tors. theta energy: -174.303 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: 9 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -2019.883917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.883917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.883917 (E_RNA) where: Base-Base interactions energy: -1364.263 where: short stacking energy: -598.632 Base-Backbone interact. energy: -2.338 local terms energy: -653.282506 where: bonds (distance) C4'-P energy: -134.309 bonds (distance) P-C4' energy: -125.294 flat angles C4'-P-C4' energy: -166.655 flat angles P-C4'-P energy: -85.191 tors. eta vs tors. theta energy: -141.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1751.278015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.278015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.278015 (E_RNA) where: Base-Base interactions energy: -1157.850 where: short stacking energy: -529.158 Base-Backbone interact. energy: 2.435 local terms energy: -595.862376 where: bonds (distance) C4'-P energy: -135.341 bonds (distance) P-C4' energy: -157.525 flat angles C4'-P-C4' energy: -123.676 flat angles P-C4'-P energy: -84.367 tors. eta vs tors. theta energy: -94.953 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: 6 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1559.345372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.345372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.345372 (E_RNA) where: Base-Base interactions energy: -1051.527 where: short stacking energy: -445.356 Base-Backbone interact. energy: 0.587 local terms energy: -508.405298 where: bonds (distance) C4'-P energy: -119.655 bonds (distance) P-C4' energy: -126.142 flat angles C4'-P-C4' energy: -130.864 flat angles P-C4'-P energy: -64.795 tors. eta vs tors. theta energy: -66.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3081.749845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.749845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.749845 (E_RNA) where: Base-Base interactions energy: -2169.334 where: short stacking energy: -932.647 Base-Backbone interact. energy: -5.182 local terms energy: -907.234077 where: bonds (distance) C4'-P energy: -161.279 bonds (distance) P-C4' energy: -163.148 flat angles C4'-P-C4' energy: -188.584 flat angles P-C4'-P energy: -135.635 tors. eta vs tors. theta energy: -258.589 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: 2, replica: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2964.628865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.628865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.628865 (E_RNA) where: Base-Base interactions energy: -2110.055 where: short stacking energy: -882.690 Base-Backbone interact. energy: 1.480 local terms energy: -856.054030 where: bonds (distance) C4'-P energy: -155.367 bonds (distance) P-C4' energy: -150.421 flat angles C4'-P-C4' energy: -189.615 flat angles P-C4'-P energy: -118.687 tors. eta vs tors. theta energy: -241.964 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: 10 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2799.790455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.790455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.790455 (E_RNA) where: Base-Base interactions energy: -1996.937 where: short stacking energy: -830.300 Base-Backbone interact. energy: -3.199 local terms energy: -799.654503 where: bonds (distance) C4'-P energy: -143.891 bonds (distance) P-C4' energy: -143.352 flat angles C4'-P-C4' energy: -185.007 flat angles P-C4'-P energy: -114.012 tors. eta vs tors. theta energy: -213.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2703.980486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.980486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.980486 (E_RNA) where: Base-Base interactions energy: -1900.611 where: short stacking energy: -799.245 Base-Backbone interact. energy: -2.508 local terms energy: -800.861585 where: bonds (distance) C4'-P energy: -148.708 bonds (distance) P-C4' energy: -149.923 flat angles C4'-P-C4' energy: -170.750 flat angles P-C4'-P energy: -113.523 tors. eta vs tors. theta energy: -217.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2484.142767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.142767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.142767 (E_RNA) where: Base-Base interactions energy: -1737.879 where: short stacking energy: -733.832 Base-Backbone interact. energy: -8.360 local terms energy: -737.904391 where: bonds (distance) C4'-P energy: -159.380 bonds (distance) P-C4' energy: -135.562 flat angles C4'-P-C4' energy: -165.110 flat angles P-C4'-P energy: -98.947 tors. eta vs tors. theta energy: -178.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2391.804968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.804968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.804968 (E_RNA) where: Base-Base interactions energy: -1696.459 where: short stacking energy: -710.366 Base-Backbone interact. energy: 2.226 local terms energy: -697.571901 where: bonds (distance) C4'-P energy: -148.645 bonds (distance) P-C4' energy: -116.190 flat angles C4'-P-C4' energy: -154.186 flat angles P-C4'-P energy: -112.607 tors. eta vs tors. theta energy: -165.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -2249.915642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.915642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.915642 (E_RNA) where: Base-Base interactions energy: -1569.098 where: short stacking energy: -693.335 Base-Backbone interact. energy: -2.878 local terms energy: -677.939937 where: bonds (distance) C4'-P energy: -122.722 bonds (distance) P-C4' energy: -154.393 flat angles C4'-P-C4' energy: -146.959 flat angles P-C4'-P energy: -81.617 tors. eta vs tors. theta energy: -172.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1976.945805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.945805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.945805 (E_RNA) where: Base-Base interactions energy: -1371.839 where: short stacking energy: -595.339 Base-Backbone interact. energy: -2.395 local terms energy: -602.711738 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -111.273 flat angles C4'-P-C4' energy: -144.434 flat angles P-C4'-P energy: -99.081 tors. eta vs tors. theta energy: -125.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1707.495050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.495050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.495050 (E_RNA) where: Base-Base interactions energy: -1132.070 where: short stacking energy: -510.323 Base-Backbone interact. energy: 1.613 local terms energy: -577.037931 where: bonds (distance) C4'-P energy: -125.463 bonds (distance) P-C4' energy: -120.088 flat angles C4'-P-C4' energy: -126.321 flat angles P-C4'-P energy: -94.291 tors. eta vs tors. theta energy: -110.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1522.478248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.478248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.478248 (E_RNA) where: Base-Base interactions energy: -1041.028 where: short stacking energy: -425.755 Base-Backbone interact. energy: -4.917 local terms energy: -476.533184 where: bonds (distance) C4'-P energy: -110.140 bonds (distance) P-C4' energy: -120.536 flat angles C4'-P-C4' energy: -100.540 flat angles P-C4'-P energy: -82.778 tors. eta vs tors. theta energy: -62.540 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: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3097.915388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.915388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.915388 (E_RNA) where: Base-Base interactions energy: -2214.283 where: short stacking energy: -948.218 Base-Backbone interact. energy: -2.169 local terms energy: -881.463296 where: bonds (distance) C4'-P energy: -152.371 bonds (distance) P-C4' energy: -154.869 flat angles C4'-P-C4' energy: -188.782 flat angles P-C4'-P energy: -112.019 tors. eta vs tors. theta energy: -273.422 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: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2937.090003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.090003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.090003 (E_RNA) where: Base-Base interactions energy: -2104.655 where: short stacking energy: -907.928 Base-Backbone interact. energy: -5.144 local terms energy: -827.290581 where: bonds (distance) C4'-P energy: -150.818 bonds (distance) P-C4' energy: -152.912 flat angles C4'-P-C4' energy: -175.049 flat angles P-C4'-P energy: -103.445 tors. eta vs tors. theta energy: -245.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2778.200112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.200112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.200112 (E_RNA) where: Base-Base interactions energy: -1990.900 where: short stacking energy: -845.327 Base-Backbone interact. energy: -0.999 local terms energy: -786.301393 where: bonds (distance) C4'-P energy: -129.948 bonds (distance) P-C4' energy: -143.376 flat angles C4'-P-C4' energy: -177.672 flat angles P-C4'-P energy: -109.454 tors. eta vs tors. theta energy: -225.851 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: 4, replica: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2732.766234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.766234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.766234 (E_RNA) where: Base-Base interactions energy: -1972.578 where: short stacking energy: -817.759 Base-Backbone interact. energy: -3.290 local terms energy: -756.898034 where: bonds (distance) C4'-P energy: -147.549 bonds (distance) P-C4' energy: -136.804 flat angles C4'-P-C4' energy: -160.114 flat angles P-C4'-P energy: -104.825 tors. eta vs tors. theta energy: -207.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2503.182228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.182228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.182228 (E_RNA) where: Base-Base interactions energy: -1776.734 where: short stacking energy: -738.371 Base-Backbone interact. energy: -1.944 local terms energy: -724.504240 where: bonds (distance) C4'-P energy: -128.841 bonds (distance) P-C4' energy: -149.532 flat angles C4'-P-C4' energy: -153.890 flat angles P-C4'-P energy: -102.212 tors. eta vs tors. theta energy: -190.029 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: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2340.205718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.205718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.205718 (E_RNA) where: Base-Base interactions energy: -1651.567 where: short stacking energy: -687.185 Base-Backbone interact. energy: -1.883 local terms energy: -686.755514 where: bonds (distance) C4'-P energy: -122.092 bonds (distance) P-C4' energy: -128.581 flat angles C4'-P-C4' energy: -152.896 flat angles P-C4'-P energy: -104.134 tors. eta vs tors. theta energy: -179.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2199.315789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.315789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.315789 (E_RNA) where: Base-Base interactions energy: -1549.243 where: short stacking energy: -635.104 Base-Backbone interact. energy: -4.059 local terms energy: -646.014331 where: bonds (distance) C4'-P energy: -126.754 bonds (distance) P-C4' energy: -130.420 flat angles C4'-P-C4' energy: -149.246 flat angles P-C4'-P energy: -77.918 tors. eta vs tors. theta energy: -161.677 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: 266 Temperature: 1.250000 Total energy: -1935.980664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.980664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.980664 (E_RNA) where: Base-Base interactions energy: -1290.717 where: short stacking energy: -583.367 Base-Backbone interact. energy: -3.401 local terms energy: -641.862513 where: bonds (distance) C4'-P energy: -133.111 bonds (distance) P-C4' energy: -142.127 flat angles C4'-P-C4' energy: -136.343 flat angles P-C4'-P energy: -94.957 tors. eta vs tors. theta energy: -135.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1726.105129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.105129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.105129 (E_RNA) where: Base-Base interactions energy: -1135.859 where: short stacking energy: -511.601 Base-Backbone interact. energy: -2.980 local terms energy: -587.266514 where: bonds (distance) C4'-P energy: -140.510 bonds (distance) P-C4' energy: -131.408 flat angles C4'-P-C4' energy: -133.512 flat angles P-C4'-P energy: -81.114 tors. eta vs tors. theta energy: -100.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1452.221398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.221398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.221398 (E_RNA) where: Base-Base interactions energy: -973.271 where: short stacking energy: -423.942 Base-Backbone interact. energy: -0.420 local terms energy: -478.530328 where: bonds (distance) C4'-P energy: -118.496 bonds (distance) P-C4' energy: -128.396 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -68.416 tors. eta vs tors. theta energy: -59.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3084.391111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.391111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.391111 (E_RNA) where: Base-Base interactions energy: -2193.237 where: short stacking energy: -910.331 Base-Backbone interact. energy: -1.850 local terms energy: -889.303958 where: bonds (distance) C4'-P energy: -163.805 bonds (distance) P-C4' energy: -166.656 flat angles C4'-P-C4' energy: -180.594 flat angles P-C4'-P energy: -123.874 tors. eta vs tors. theta energy: -254.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2971.945061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.945061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.945061 (E_RNA) where: Base-Base interactions energy: -2107.126 where: short stacking energy: -884.628 Base-Backbone interact. energy: -7.823 local terms energy: -856.996041 where: bonds (distance) C4'-P energy: -161.374 bonds (distance) P-C4' energy: -158.606 flat angles C4'-P-C4' energy: -181.475 flat angles P-C4'-P energy: -118.033 tors. eta vs tors. theta energy: -237.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2842.902162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.902162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.902162 (E_RNA) where: Base-Base interactions energy: -2036.646 where: short stacking energy: -851.053 Base-Backbone interact. energy: -1.868 local terms energy: -804.387275 where: bonds (distance) C4'-P energy: -148.999 bonds (distance) P-C4' energy: -145.787 flat angles C4'-P-C4' energy: -180.921 flat angles P-C4'-P energy: -103.521 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: 4, replica: 10 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2775.527383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.527383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.527383 (E_RNA) where: Base-Base interactions energy: -1991.796 where: short stacking energy: -825.569 Base-Backbone interact. energy: -2.235 local terms energy: -781.496180 where: bonds (distance) C4'-P energy: -139.635 bonds (distance) P-C4' energy: -161.007 flat angles C4'-P-C4' energy: -168.644 flat angles P-C4'-P energy: -102.837 tors. eta vs tors. theta energy: -209.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2484.202479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.202479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.202479 (E_RNA) where: Base-Base interactions energy: -1770.178 where: short stacking energy: -744.803 Base-Backbone interact. energy: -3.583 local terms energy: -710.441444 where: bonds (distance) C4'-P energy: -119.040 bonds (distance) P-C4' energy: -138.265 flat angles C4'-P-C4' energy: -159.680 flat angles P-C4'-P energy: -107.862 tors. eta vs tors. theta energy: -185.595 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2326.365101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.365101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.365101 (E_RNA) where: Base-Base interactions energy: -1625.405 where: short stacking energy: -675.521 Base-Backbone interact. energy: -1.907 local terms energy: -699.053210 where: bonds (distance) C4'-P energy: -143.030 bonds (distance) P-C4' energy: -141.146 flat angles C4'-P-C4' energy: -153.432 flat angles P-C4'-P energy: -89.319 tors. eta vs tors. theta energy: -172.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2176.181283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.181283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.181283 (E_RNA) where: Base-Base interactions energy: -1510.602 where: short stacking energy: -660.302 Base-Backbone interact. energy: 0.560 local terms energy: -666.139066 where: bonds (distance) C4'-P energy: -119.719 bonds (distance) P-C4' energy: -134.316 flat angles C4'-P-C4' energy: -146.992 flat angles P-C4'-P energy: -111.812 tors. eta vs tors. theta energy: -153.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1926.838457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.838457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.838457 (E_RNA) where: Base-Base interactions energy: -1316.936 where: short stacking energy: -597.154 Base-Backbone interact. energy: -1.805 local terms energy: -608.097704 where: bonds (distance) C4'-P energy: -109.288 bonds (distance) P-C4' energy: -134.792 flat angles C4'-P-C4' energy: -152.806 flat angles P-C4'-P energy: -85.620 tors. eta vs tors. theta energy: -125.591 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: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1703.223511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.223511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.223511 (E_RNA) where: Base-Base interactions energy: -1139.925 where: short stacking energy: -519.859 Base-Backbone interact. energy: -3.194 local terms energy: -560.104956 where: bonds (distance) C4'-P energy: -115.237 bonds (distance) P-C4' energy: -128.109 flat angles C4'-P-C4' energy: -128.345 flat angles P-C4'-P energy: -86.743 tors. eta vs tors. theta energy: -101.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1491.814438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.814438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.814438 (E_RNA) where: Base-Base interactions energy: -965.409 where: short stacking energy: -428.993 Base-Backbone interact. energy: 0.729 local terms energy: -527.134354 where: bonds (distance) C4'-P energy: -125.046 bonds (distance) P-C4' energy: -135.451 flat angles C4'-P-C4' energy: -139.802 flat angles P-C4'-P energy: -66.916 tors. eta vs tors. theta energy: -59.920 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: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3070.660412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.660412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.660412 (E_RNA) where: Base-Base interactions energy: -2182.071 where: short stacking energy: -909.481 Base-Backbone interact. energy: 1.175 local terms energy: -889.765201 where: bonds (distance) C4'-P energy: -164.113 bonds (distance) P-C4' energy: -161.482 flat angles C4'-P-C4' energy: -175.187 flat angles P-C4'-P energy: -134.668 tors. eta vs tors. theta energy: -254.314 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: 2, replica: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2939.298361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.298361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.298361 (E_RNA) where: Base-Base interactions energy: -2090.534 where: short stacking energy: -877.229 Base-Backbone interact. energy: -3.043 local terms energy: -845.721453 where: bonds (distance) C4'-P energy: -145.315 bonds (distance) P-C4' energy: -157.767 flat angles C4'-P-C4' energy: -183.599 flat angles P-C4'-P energy: -124.954 tors. eta vs tors. theta energy: -234.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2809.843455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.843455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.843455 (E_RNA) where: Base-Base interactions energy: -1996.988 where: short stacking energy: -817.098 Base-Backbone interact. energy: -6.634 local terms energy: -806.221061 where: bonds (distance) C4'-P energy: -139.357 bonds (distance) P-C4' energy: -151.283 flat angles C4'-P-C4' energy: -178.342 flat angles P-C4'-P energy: -130.688 tors. eta vs tors. theta energy: -206.551 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: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2735.917768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.917768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.917768 (E_RNA) where: Base-Base interactions energy: -1946.962 where: short stacking energy: -823.386 Base-Backbone interact. energy: -1.466 local terms energy: -787.489137 where: bonds (distance) C4'-P energy: -142.847 bonds (distance) P-C4' energy: -128.358 flat angles C4'-P-C4' energy: -179.075 flat angles P-C4'-P energy: -121.099 tors. eta vs tors. theta energy: -216.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2515.621150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.621150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.621150 (E_RNA) where: Base-Base interactions energy: -1792.620 where: short stacking energy: -743.157 Base-Backbone interact. energy: -1.393 local terms energy: -721.607950 where: bonds (distance) C4'-P energy: -150.018 bonds (distance) P-C4' energy: -141.756 flat angles C4'-P-C4' energy: -155.705 flat angles P-C4'-P energy: -98.859 tors. eta vs tors. theta energy: -175.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2380.550364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.550364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.550364 (E_RNA) where: Base-Base interactions energy: -1697.121 where: short stacking energy: -696.119 Base-Backbone interact. energy: 3.935 local terms energy: -687.364778 where: bonds (distance) C4'-P energy: -117.220 bonds (distance) P-C4' energy: -143.958 flat angles C4'-P-C4' energy: -151.240 flat angles P-C4'-P energy: -98.531 tors. eta vs tors. theta energy: -176.416 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: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2194.959131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.959131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.959131 (E_RNA) where: Base-Base interactions energy: -1508.228 where: short stacking energy: -650.135 Base-Backbone interact. energy: -3.151 local terms energy: -683.580197 where: bonds (distance) C4'-P energy: -137.951 bonds (distance) P-C4' energy: -134.886 flat angles C4'-P-C4' energy: -157.141 flat angles P-C4'-P energy: -96.908 tors. eta vs tors. theta energy: -156.695 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: 8, replica: 9 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1964.739762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.739762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.739762 (E_RNA) where: Base-Base interactions energy: -1345.622 where: short stacking energy: -593.687 Base-Backbone interact. energy: -0.327 local terms energy: -618.790653 where: bonds (distance) C4'-P energy: -127.566 bonds (distance) P-C4' energy: -137.345 flat angles C4'-P-C4' energy: -138.584 flat angles P-C4'-P energy: -91.768 tors. eta vs tors. theta energy: -123.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1692.213523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.213523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.213523 (E_RNA) where: Base-Base interactions energy: -1139.447 where: short stacking energy: -499.643 Base-Backbone interact. energy: -1.679 local terms energy: -551.088036 where: bonds (distance) C4'-P energy: -112.754 bonds (distance) P-C4' energy: -135.514 flat angles C4'-P-C4' energy: -122.019 flat angles P-C4'-P energy: -92.204 tors. eta vs tors. theta energy: -88.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1448.460705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.460705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.460705 (E_RNA) where: Base-Base interactions energy: -982.128 where: short stacking energy: -432.881 Base-Backbone interact. energy: 7.113 local terms energy: -473.444835 where: bonds (distance) C4'-P energy: -94.604 bonds (distance) P-C4' energy: -129.302 flat angles C4'-P-C4' energy: -122.604 flat angles P-C4'-P energy: -67.808 tors. eta vs tors. theta energy: -59.126 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: 1, replica: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3095.769784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.769784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.769784 (E_RNA) where: Base-Base interactions energy: -2228.334 where: short stacking energy: -932.513 Base-Backbone interact. energy: -4.534 local terms energy: -862.900917 where: bonds (distance) C4'-P energy: -149.982 bonds (distance) P-C4' energy: -145.801 flat angles C4'-P-C4' energy: -187.675 flat angles P-C4'-P energy: -123.515 tors. eta vs tors. theta energy: -255.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2936.239425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.239425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.239425 (E_RNA) where: Base-Base interactions energy: -2073.787 where: short stacking energy: -886.886 Base-Backbone interact. energy: -5.763 local terms energy: -856.689246 where: bonds (distance) C4'-P energy: -155.680 bonds (distance) P-C4' energy: -163.604 flat angles C4'-P-C4' energy: -177.240 flat angles P-C4'-P energy: -119.800 tors. eta vs tors. theta energy: -240.366 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: 3, replica: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2820.073026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.073026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.073026 (E_RNA) where: Base-Base interactions energy: -2040.029 where: short stacking energy: -812.700 Base-Backbone interact. energy: -1.526 local terms energy: -778.518203 where: bonds (distance) C4'-P energy: -134.762 bonds (distance) P-C4' energy: -166.399 flat angles C4'-P-C4' energy: -165.256 flat angles P-C4'-P energy: -109.727 tors. eta vs tors. theta energy: -202.374 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: 269 Temperature: 1.050000 Total energy: -2707.663995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.663995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.663995 (E_RNA) where: Base-Base interactions energy: -1941.307 where: short stacking energy: -781.501 Base-Backbone interact. energy: -3.206 local terms energy: -763.151727 where: bonds (distance) C4'-P energy: -137.642 bonds (distance) P-C4' energy: -141.925 flat angles C4'-P-C4' energy: -157.632 flat angles P-C4'-P energy: -121.547 tors. eta vs tors. theta energy: -204.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2484.923356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.923356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.923356 (E_RNA) where: Base-Base interactions energy: -1750.658 where: short stacking energy: -710.929 Base-Backbone interact. energy: -3.496 local terms energy: -730.769977 where: bonds (distance) C4'-P energy: -127.560 bonds (distance) P-C4' energy: -149.439 flat angles C4'-P-C4' energy: -155.896 flat angles P-C4'-P energy: -108.268 tors. eta vs tors. theta energy: -189.607 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: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2378.693440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.693440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.693440 (E_RNA) where: Base-Base interactions energy: -1724.935 where: short stacking energy: -696.292 Base-Backbone interact. energy: 0.735 local terms energy: -654.493624 where: bonds (distance) C4'-P energy: -122.069 bonds (distance) P-C4' energy: -125.935 flat angles C4'-P-C4' energy: -155.466 flat angles P-C4'-P energy: -86.181 tors. eta vs tors. theta energy: -164.843 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: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2148.375264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.375264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.375264 (E_RNA) where: Base-Base interactions energy: -1497.894 where: short stacking energy: -642.708 Base-Backbone interact. energy: 1.402 local terms energy: -651.882804 where: bonds (distance) C4'-P energy: -131.941 bonds (distance) P-C4' energy: -133.964 flat angles C4'-P-C4' energy: -141.809 flat angles P-C4'-P energy: -85.733 tors. eta vs tors. theta energy: -158.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1987.130090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.130090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.130090 (E_RNA) where: Base-Base interactions energy: -1350.237 where: short stacking energy: -594.655 Base-Backbone interact. energy: -1.607 local terms energy: -635.285543 where: bonds (distance) C4'-P energy: -118.837 bonds (distance) P-C4' energy: -153.563 flat angles C4'-P-C4' energy: -149.661 flat angles P-C4'-P energy: -78.927 tors. eta vs tors. theta energy: -134.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1751.928490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.928490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.928490 (E_RNA) where: Base-Base interactions energy: -1151.686 where: short stacking energy: -541.277 Base-Backbone interact. energy: 0.735 local terms energy: -600.977749 where: bonds (distance) C4'-P energy: -125.112 bonds (distance) P-C4' energy: -122.410 flat angles C4'-P-C4' energy: -137.710 flat angles P-C4'-P energy: -93.306 tors. eta vs tors. theta energy: -122.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1387.256480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.256480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.256480 (E_RNA) where: Base-Base interactions energy: -890.176 where: short stacking energy: -428.497 Base-Backbone interact. energy: 4.365 local terms energy: -501.445633 where: bonds (distance) C4'-P energy: -111.766 bonds (distance) P-C4' energy: -142.000 flat angles C4'-P-C4' energy: -128.597 flat angles P-C4'-P energy: -82.312 tors. eta vs tors. theta energy: -36.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3080.638034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.638034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.638034 (E_RNA) where: Base-Base interactions energy: -2191.560 where: short stacking energy: -929.280 Base-Backbone interact. energy: -0.362 local terms energy: -888.716547 where: bonds (distance) C4'-P energy: -161.317 bonds (distance) P-C4' energy: -162.319 flat angles C4'-P-C4' energy: -186.438 flat angles P-C4'-P energy: -119.295 tors. eta vs tors. theta energy: -259.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2969.663756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.663756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.663756 (E_RNA) where: Base-Base interactions energy: -2096.570 where: short stacking energy: -885.802 Base-Backbone interact. energy: -5.482 local terms energy: -867.612163 where: bonds (distance) C4'-P energy: -143.792 bonds (distance) P-C4' energy: -161.905 flat angles C4'-P-C4' energy: -189.633 flat angles P-C4'-P energy: -132.977 tors. eta vs tors. theta energy: -239.305 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: 3, replica: 10 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2831.875240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.875240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.875240 (E_RNA) where: Base-Base interactions energy: -2059.869 where: short stacking energy: -851.705 Base-Backbone interact. energy: -4.252 local terms energy: -767.754131 where: bonds (distance) C4'-P energy: -157.672 bonds (distance) P-C4' energy: -134.038 flat angles C4'-P-C4' energy: -161.375 flat angles P-C4'-P energy: -102.301 tors. eta vs tors. theta energy: -212.368 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: 270 Temperature: 1.050000 Total energy: -2713.777941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.777941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.777941 (E_RNA) where: Base-Base interactions energy: -1914.297 where: short stacking energy: -813.824 Base-Backbone interact. energy: -0.783 local terms energy: -798.698089 where: bonds (distance) C4'-P energy: -163.977 bonds (distance) P-C4' energy: -146.048 flat angles C4'-P-C4' energy: -170.516 flat angles P-C4'-P energy: -98.943 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: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2584.883448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.883448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.883448 (E_RNA) where: Base-Base interactions energy: -1810.216 where: short stacking energy: -763.278 Base-Backbone interact. energy: 3.635 local terms energy: -778.302015 where: bonds (distance) C4'-P energy: -150.561 bonds (distance) P-C4' energy: -158.087 flat angles C4'-P-C4' energy: -171.533 flat angles P-C4'-P energy: -104.347 tors. eta vs tors. theta energy: -193.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2375.159728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.159728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.159728 (E_RNA) where: Base-Base interactions energy: -1710.237 where: short stacking energy: -683.250 Base-Backbone interact. energy: -0.259 local terms energy: -664.663894 where: bonds (distance) C4'-P energy: -112.345 bonds (distance) P-C4' energy: -133.279 flat angles C4'-P-C4' energy: -159.505 flat angles P-C4'-P energy: -93.966 tors. eta vs tors. theta energy: -165.569 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: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2207.040157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.040157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.040157 (E_RNA) where: Base-Base interactions energy: -1521.264 where: short stacking energy: -650.932 Base-Backbone interact. energy: -1.544 local terms energy: -684.232027 where: bonds (distance) C4'-P energy: -122.189 bonds (distance) P-C4' energy: -144.443 flat angles C4'-P-C4' energy: -138.172 flat angles P-C4'-P energy: -111.446 tors. eta vs tors. theta energy: -167.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -2016.267919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.267919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.267919 (E_RNA) where: Base-Base interactions energy: -1381.598 where: short stacking energy: -624.022 Base-Backbone interact. energy: 6.451 local terms energy: -641.120744 where: bonds (distance) C4'-P energy: -146.197 bonds (distance) P-C4' energy: -145.308 flat angles C4'-P-C4' energy: -137.945 flat angles P-C4'-P energy: -70.017 tors. eta vs tors. theta energy: -141.655 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: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1746.554629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.554629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.554629 (E_RNA) where: Base-Base interactions energy: -1189.396 where: short stacking energy: -513.699 Base-Backbone interact. energy: -1.892 local terms energy: -555.266865 where: bonds (distance) C4'-P energy: -118.397 bonds (distance) P-C4' energy: -124.538 flat angles C4'-P-C4' energy: -138.408 flat angles P-C4'-P energy: -70.608 tors. eta vs tors. theta energy: -103.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1468.428218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.428218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.428218 (E_RNA) where: Base-Base interactions energy: -982.184 where: short stacking energy: -431.775 Base-Backbone interact. energy: 3.397 local terms energy: -489.641612 where: bonds (distance) C4'-P energy: -106.870 bonds (distance) P-C4' energy: -141.616 flat angles C4'-P-C4' energy: -118.602 flat angles P-C4'-P energy: -71.349 tors. eta vs tors. theta energy: -51.205 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: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3081.856785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.856785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.856785 (E_RNA) where: Base-Base interactions energy: -2187.140 where: short stacking energy: -933.698 Base-Backbone interact. energy: -3.810 local terms energy: -890.906439 where: bonds (distance) C4'-P energy: -172.281 bonds (distance) P-C4' energy: -147.648 flat angles C4'-P-C4' energy: -188.183 flat angles P-C4'-P energy: -123.855 tors. eta vs tors. theta energy: -258.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2965.900015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.900015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.900015 (E_RNA) where: Base-Base interactions energy: -2088.325 where: short stacking energy: -900.086 Base-Backbone interact. energy: -0.811 local terms energy: -876.763224 where: bonds (distance) C4'-P energy: -152.323 bonds (distance) P-C4' energy: -161.781 flat angles C4'-P-C4' energy: -180.648 flat angles P-C4'-P energy: -130.635 tors. eta vs tors. theta energy: -251.377 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: 3, replica: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2802.673425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.673425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.673425 (E_RNA) where: Base-Base interactions energy: -2024.077 where: short stacking energy: -834.625 Base-Backbone interact. energy: 2.482 local terms energy: -781.078695 where: bonds (distance) C4'-P energy: -139.410 bonds (distance) P-C4' energy: -142.954 flat angles C4'-P-C4' energy: -171.894 flat angles P-C4'-P energy: -118.332 tors. eta vs tors. theta energy: -208.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2765.581889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.581889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.581889 (E_RNA) where: Base-Base interactions energy: -1953.842 where: short stacking energy: -844.268 Base-Backbone interact. energy: -2.762 local terms energy: -808.978546 where: bonds (distance) C4'-P energy: -115.252 bonds (distance) P-C4' energy: -167.589 flat angles C4'-P-C4' energy: -168.028 flat angles P-C4'-P energy: -123.205 tors. eta vs tors. theta energy: -234.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2582.283654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.283654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.283654 (E_RNA) where: Base-Base interactions energy: -1791.729 where: short stacking energy: -739.439 Base-Backbone interact. energy: 1.888 local terms energy: -792.442054 where: bonds (distance) C4'-P energy: -142.633 bonds (distance) P-C4' energy: -161.363 flat angles C4'-P-C4' energy: -163.623 flat angles P-C4'-P energy: -111.842 tors. eta vs tors. theta energy: -212.981 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: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2367.071597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.071597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.071597 (E_RNA) where: Base-Base interactions energy: -1702.372 where: short stacking energy: -708.182 Base-Backbone interact. energy: 9.495 local terms energy: -674.194244 where: bonds (distance) C4'-P energy: -102.680 bonds (distance) P-C4' energy: -140.384 flat angles C4'-P-C4' energy: -148.246 flat angles P-C4'-P energy: -110.261 tors. eta vs tors. theta energy: -172.623 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: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -2201.196042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.196042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.196042 (E_RNA) where: Base-Base interactions energy: -1528.195 where: short stacking energy: -626.369 Base-Backbone interact. energy: -4.106 local terms energy: -668.895419 where: bonds (distance) C4'-P energy: -129.649 bonds (distance) P-C4' energy: -158.595 flat angles C4'-P-C4' energy: -154.994 flat angles P-C4'-P energy: -84.176 tors. eta vs tors. theta energy: -141.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -2038.287586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.287586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.287586 (E_RNA) where: Base-Base interactions energy: -1377.108 where: short stacking energy: -629.259 Base-Backbone interact. energy: 0.752 local terms energy: -661.931449 where: bonds (distance) C4'-P energy: -130.176 bonds (distance) P-C4' energy: -121.283 flat angles C4'-P-C4' energy: -160.663 flat angles P-C4'-P energy: -103.158 tors. eta vs tors. theta energy: -146.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1766.549038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.549038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.549038 (E_RNA) where: Base-Base interactions energy: -1198.126 where: short stacking energy: -536.916 Base-Backbone interact. energy: -1.548 local terms energy: -566.874857 where: bonds (distance) C4'-P energy: -119.806 bonds (distance) P-C4' energy: -112.126 flat angles C4'-P-C4' energy: -141.192 flat angles P-C4'-P energy: -91.009 tors. eta vs tors. theta energy: -102.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1511.004072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.004072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.004072 (E_RNA) where: Base-Base interactions energy: -1018.226 where: short stacking energy: -464.734 Base-Backbone interact. energy: 1.424 local terms energy: -494.202076 where: bonds (distance) C4'-P energy: -133.393 bonds (distance) P-C4' energy: -137.335 flat angles C4'-P-C4' energy: -99.919 flat angles P-C4'-P energy: -58.624 tors. eta vs tors. theta energy: -64.931 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: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3091.391502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.391502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.391502 (E_RNA) where: Base-Base interactions energy: -2186.114 where: short stacking energy: -930.575 Base-Backbone interact. energy: -1.969 local terms energy: -903.308263 where: bonds (distance) C4'-P energy: -173.241 bonds (distance) P-C4' energy: -156.001 flat angles C4'-P-C4' energy: -187.825 flat angles P-C4'-P energy: -129.765 tors. eta vs tors. theta energy: -256.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2980.453233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.453233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.453233 (E_RNA) where: Base-Base interactions energy: -2120.656 where: short stacking energy: -904.960 Base-Backbone interact. energy: -2.749 local terms energy: -857.048819 where: bonds (distance) C4'-P energy: -130.574 bonds (distance) P-C4' energy: -166.920 flat angles C4'-P-C4' energy: -190.518 flat angles P-C4'-P energy: -125.799 tors. eta vs tors. theta energy: -243.238 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: 3, replica: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2844.086680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.086680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.086680 (E_RNA) where: Base-Base interactions energy: -2025.235 where: short stacking energy: -844.947 Base-Backbone interact. energy: 0.930 local terms energy: -819.782434 where: bonds (distance) C4'-P energy: -140.828 bonds (distance) P-C4' energy: -160.720 flat angles C4'-P-C4' energy: -183.035 flat angles P-C4'-P energy: -123.818 tors. eta vs tors. theta energy: -211.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2737.374218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.374218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.374218 (E_RNA) where: Base-Base interactions energy: -1931.663 where: short stacking energy: -834.211 Base-Backbone interact. energy: 0.067 local terms energy: -805.778998 where: bonds (distance) C4'-P energy: -148.554 bonds (distance) P-C4' energy: -141.817 flat angles C4'-P-C4' energy: -186.848 flat angles P-C4'-P energy: -107.300 tors. eta vs tors. theta energy: -221.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2568.765937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.765937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.765937 (E_RNA) where: Base-Base interactions energy: -1839.381 where: short stacking energy: -781.147 Base-Backbone interact. energy: 2.206 local terms energy: -731.590630 where: bonds (distance) C4'-P energy: -126.027 bonds (distance) P-C4' energy: -142.736 flat angles C4'-P-C4' energy: -155.906 flat angles P-C4'-P energy: -110.483 tors. eta vs tors. theta energy: -196.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2339.882349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.882349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.882349 (E_RNA) where: Base-Base interactions energy: -1652.729 where: short stacking energy: -693.966 Base-Backbone interact. energy: -2.958 local terms energy: -684.194812 where: bonds (distance) C4'-P energy: -146.656 bonds (distance) P-C4' energy: -114.685 flat angles C4'-P-C4' energy: -143.036 flat angles P-C4'-P energy: -107.717 tors. eta vs tors. theta energy: -172.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2184.797899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.797899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.797899 (E_RNA) where: Base-Base interactions energy: -1526.790 where: short stacking energy: -679.125 Base-Backbone interact. energy: -2.098 local terms energy: -655.909502 where: bonds (distance) C4'-P energy: -106.429 bonds (distance) P-C4' energy: -138.473 flat angles C4'-P-C4' energy: -152.595 flat angles P-C4'-P energy: -98.504 tors. eta vs tors. theta energy: -159.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -2002.799428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.799428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.799428 (E_RNA) where: Base-Base interactions energy: -1354.473 where: short stacking energy: -625.502 Base-Backbone interact. energy: -2.398 local terms energy: -645.929004 where: bonds (distance) C4'-P energy: -111.944 bonds (distance) P-C4' energy: -139.183 flat angles C4'-P-C4' energy: -151.558 flat angles P-C4'-P energy: -91.439 tors. eta vs tors. theta energy: -151.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1753.682700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.682700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.682700 (E_RNA) where: Base-Base interactions energy: -1209.377 where: short stacking energy: -535.352 Base-Backbone interact. energy: -4.376 local terms energy: -539.929839 where: bonds (distance) C4'-P energy: -120.112 bonds (distance) P-C4' energy: -120.464 flat angles C4'-P-C4' energy: -116.106 flat angles P-C4'-P energy: -79.809 tors. eta vs tors. theta energy: -103.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1471.983907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.983907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.983907 (E_RNA) where: Base-Base interactions energy: -984.109 where: short stacking energy: -444.580 Base-Backbone interact. energy: -0.370 local terms energy: -487.504793 where: bonds (distance) C4'-P energy: -122.111 bonds (distance) P-C4' energy: -135.999 flat angles C4'-P-C4' energy: -94.198 flat angles P-C4'-P energy: -64.475 tors. eta vs tors. theta energy: -70.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3069.850166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.850166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.850166 (E_RNA) where: Base-Base interactions energy: -2168.936 where: short stacking energy: -904.538 Base-Backbone interact. energy: -1.748 local terms energy: -899.166441 where: bonds (distance) C4'-P energy: -158.762 bonds (distance) P-C4' energy: -172.807 flat angles C4'-P-C4' energy: -186.213 flat angles P-C4'-P energy: -118.929 tors. eta vs tors. theta energy: -262.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2971.517240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.517240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.517240 (E_RNA) where: Base-Base interactions energy: -2116.211 where: short stacking energy: -902.967 Base-Backbone interact. energy: -1.965 local terms energy: -853.341427 where: bonds (distance) C4'-P energy: -124.188 bonds (distance) P-C4' energy: -170.917 flat angles C4'-P-C4' energy: -189.013 flat angles P-C4'-P energy: -126.071 tors. eta vs tors. theta energy: -243.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2845.841487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.841487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.841487 (E_RNA) where: Base-Base interactions energy: -2034.230 where: short stacking energy: -865.998 Base-Backbone interact. energy: -5.273 local terms energy: -806.338382 where: bonds (distance) C4'-P energy: -140.804 bonds (distance) P-C4' energy: -160.713 flat angles C4'-P-C4' energy: -174.043 flat angles P-C4'-P energy: -116.892 tors. eta vs tors. theta energy: -213.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2709.707454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.707454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.707454 (E_RNA) where: Base-Base interactions energy: -1922.375 where: short stacking energy: -826.173 Base-Backbone interact. energy: 0.854 local terms energy: -788.185907 where: bonds (distance) C4'-P energy: -147.813 bonds (distance) P-C4' energy: -152.487 flat angles C4'-P-C4' energy: -166.671 flat angles P-C4'-P energy: -100.274 tors. eta vs tors. theta energy: -220.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2552.917567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.917567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.917567 (E_RNA) where: Base-Base interactions energy: -1794.640 where: short stacking energy: -738.378 Base-Backbone interact. energy: 1.566 local terms energy: -759.843869 where: bonds (distance) C4'-P energy: -142.706 bonds (distance) P-C4' energy: -153.800 flat angles C4'-P-C4' energy: -161.938 flat angles P-C4'-P energy: -108.397 tors. eta vs tors. theta energy: -193.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2343.082309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.082309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.082309 (E_RNA) where: Base-Base interactions energy: -1662.040 where: short stacking energy: -692.117 Base-Backbone interact. energy: -0.529 local terms energy: -680.513456 where: bonds (distance) C4'-P energy: -128.988 bonds (distance) P-C4' energy: -144.054 flat angles C4'-P-C4' energy: -152.579 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -168.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2192.690684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.690684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.690684 (E_RNA) where: Base-Base interactions energy: -1509.721 where: short stacking energy: -654.839 Base-Backbone interact. energy: -3.610 local terms energy: -679.359007 where: bonds (distance) C4'-P energy: -142.250 bonds (distance) P-C4' energy: -129.680 flat angles C4'-P-C4' energy: -159.750 flat angles P-C4'-P energy: -97.995 tors. eta vs tors. theta energy: -149.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1963.596192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.596192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.596192 (E_RNA) where: Base-Base interactions energy: -1387.587 where: short stacking energy: -589.051 Base-Backbone interact. energy: 1.729 local terms energy: -577.738178 where: bonds (distance) C4'-P energy: -114.137 bonds (distance) P-C4' energy: -140.488 flat angles C4'-P-C4' energy: -136.336 flat angles P-C4'-P energy: -86.463 tors. eta vs tors. theta energy: -100.315 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: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1716.470603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.470603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.470603 (E_RNA) where: Base-Base interactions energy: -1128.805 where: short stacking energy: -512.503 Base-Backbone interact. energy: -1.853 local terms energy: -585.812091 where: bonds (distance) C4'-P energy: -132.461 bonds (distance) P-C4' energy: -126.721 flat angles C4'-P-C4' energy: -140.757 flat angles P-C4'-P energy: -67.357 tors. eta vs tors. theta energy: -118.516 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: 6 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1455.010857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.010857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.010857 (E_RNA) where: Base-Base interactions energy: -943.572 where: short stacking energy: -430.811 Base-Backbone interact. energy: -4.171 local terms energy: -507.267906 where: bonds (distance) C4'-P energy: -132.930 bonds (distance) P-C4' energy: -124.969 flat angles C4'-P-C4' energy: -134.072 flat angles P-C4'-P energy: -66.465 tors. eta vs tors. theta energy: -48.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3082.360544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.360544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.360544 (E_RNA) where: Base-Base interactions energy: -2175.501 where: short stacking energy: -912.106 Base-Backbone interact. energy: -4.325 local terms energy: -902.534454 where: bonds (distance) C4'-P energy: -149.304 bonds (distance) P-C4' energy: -168.834 flat angles C4'-P-C4' energy: -193.397 flat angles P-C4'-P energy: -134.044 tors. eta vs tors. theta energy: -256.955 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: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2962.825277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.825277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.825277 (E_RNA) where: Base-Base interactions energy: -2126.012 where: short stacking energy: -891.618 Base-Backbone interact. energy: -3.395 local terms energy: -833.418878 where: bonds (distance) C4'-P energy: -138.296 bonds (distance) P-C4' energy: -152.492 flat angles C4'-P-C4' energy: -181.850 flat angles P-C4'-P energy: -128.003 tors. eta vs tors. theta energy: -232.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2876.306277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.306277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.306277 (E_RNA) where: Base-Base interactions energy: -2076.521 where: short stacking energy: -860.055 Base-Backbone interact. energy: 2.002 local terms energy: -801.787194 where: bonds (distance) C4'-P energy: -150.337 bonds (distance) P-C4' energy: -141.100 flat angles C4'-P-C4' energy: -172.218 flat angles P-C4'-P energy: -118.898 tors. eta vs tors. theta energy: -219.234 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: 3 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2727.978847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.978847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.978847 (E_RNA) where: Base-Base interactions energy: -1935.845 where: short stacking energy: -806.485 Base-Backbone interact. energy: 2.514 local terms energy: -794.647205 where: bonds (distance) C4'-P energy: -139.515 bonds (distance) P-C4' energy: -148.621 flat angles C4'-P-C4' energy: -178.544 flat angles P-C4'-P energy: -105.153 tors. eta vs tors. theta energy: -222.814 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: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2604.400735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.400735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.400735 (E_RNA) where: Base-Base interactions energy: -1833.474 where: short stacking energy: -767.021 Base-Backbone interact. energy: -5.781 local terms energy: -765.145703 where: bonds (distance) C4'-P energy: -143.251 bonds (distance) P-C4' energy: -140.993 flat angles C4'-P-C4' energy: -168.457 flat angles P-C4'-P energy: -112.919 tors. eta vs tors. theta energy: -199.526 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: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2345.396926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.396926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.396926 (E_RNA) where: Base-Base interactions energy: -1655.907 where: short stacking energy: -703.174 Base-Backbone interact. energy: 1.586 local terms energy: -691.076195 where: bonds (distance) C4'-P energy: -122.911 bonds (distance) P-C4' energy: -130.934 flat angles C4'-P-C4' energy: -157.620 flat angles P-C4'-P energy: -109.766 tors. eta vs tors. theta energy: -169.846 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: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2285.514362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.514362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.514362 (E_RNA) where: Base-Base interactions energy: -1595.339 where: short stacking energy: -682.274 Base-Backbone interact. energy: -3.136 local terms energy: -687.038438 where: bonds (distance) C4'-P energy: -136.968 bonds (distance) P-C4' energy: -136.130 flat angles C4'-P-C4' energy: -160.628 flat angles P-C4'-P energy: -86.424 tors. eta vs tors. theta energy: -166.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -2008.881316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.881316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.881316 (E_RNA) where: Base-Base interactions energy: -1372.784 where: short stacking energy: -573.993 Base-Backbone interact. energy: -2.166 local terms energy: -633.930621 where: bonds (distance) C4'-P energy: -136.289 bonds (distance) P-C4' energy: -129.913 flat angles C4'-P-C4' energy: -143.822 flat angles P-C4'-P energy: -93.975 tors. eta vs tors. theta energy: -129.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1663.738080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.738080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.738080 (E_RNA) where: Base-Base interactions energy: -1125.002 where: short stacking energy: -495.139 Base-Backbone interact. energy: 7.074 local terms energy: -545.810365 where: bonds (distance) C4'-P energy: -112.692 bonds (distance) P-C4' energy: -143.244 flat angles C4'-P-C4' energy: -126.253 flat angles P-C4'-P energy: -82.870 tors. eta vs tors. theta energy: -80.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1366.710611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.710611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.710611 (E_RNA) where: Base-Base interactions energy: -862.221 where: short stacking energy: -380.830 Base-Backbone interact. energy: 4.208 local terms energy: -508.697659 where: bonds (distance) C4'-P energy: -115.409 bonds (distance) P-C4' energy: -124.451 flat angles C4'-P-C4' energy: -134.293 flat angles P-C4'-P energy: -90.194 tors. eta vs tors. theta energy: -44.351 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: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3082.745294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.745294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.745294 (E_RNA) where: Base-Base interactions energy: -2179.125 where: short stacking energy: -904.427 Base-Backbone interact. energy: 1.563 local terms energy: -905.183187 where: bonds (distance) C4'-P energy: -160.938 bonds (distance) P-C4' energy: -173.063 flat angles C4'-P-C4' energy: -190.103 flat angles P-C4'-P energy: -135.003 tors. eta vs tors. theta energy: -246.077 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: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2967.972837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.972837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.972837 (E_RNA) where: Base-Base interactions energy: -2094.427 where: short stacking energy: -904.558 Base-Backbone interact. energy: -3.237 local terms energy: -870.308841 where: bonds (distance) C4'-P energy: -157.980 bonds (distance) P-C4' energy: -149.398 flat angles C4'-P-C4' energy: -189.380 flat angles P-C4'-P energy: -127.001 tors. eta vs tors. theta energy: -246.549 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: 10 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2822.712650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.712650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.712650 (E_RNA) where: Base-Base interactions energy: -2032.497 where: short stacking energy: -830.158 Base-Backbone interact. energy: -0.764 local terms energy: -789.451256 where: bonds (distance) C4'-P energy: -157.861 bonds (distance) P-C4' energy: -159.309 flat angles C4'-P-C4' energy: -169.109 flat angles P-C4'-P energy: -102.210 tors. eta vs tors. theta energy: -200.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2734.866605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.866605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.866605 (E_RNA) where: Base-Base interactions energy: -1953.090 where: short stacking energy: -830.871 Base-Backbone interact. energy: 0.542 local terms energy: -782.317941 where: bonds (distance) C4'-P energy: -142.579 bonds (distance) P-C4' energy: -145.445 flat angles C4'-P-C4' energy: -157.517 flat angles P-C4'-P energy: -117.099 tors. eta vs tors. theta energy: -219.678 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: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2533.031825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.031825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.031825 (E_RNA) where: Base-Base interactions energy: -1807.021 where: short stacking energy: -775.833 Base-Backbone interact. energy: -2.084 local terms energy: -723.927004 where: bonds (distance) C4'-P energy: -129.176 bonds (distance) P-C4' energy: -140.582 flat angles C4'-P-C4' energy: -165.748 flat angles P-C4'-P energy: -105.379 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: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2453.788984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.788984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.788984 (E_RNA) where: Base-Base interactions energy: -1777.735 where: short stacking energy: -714.373 Base-Backbone interact. energy: -0.204 local terms energy: -675.849729 where: bonds (distance) C4'-P energy: -118.159 bonds (distance) P-C4' energy: -131.934 flat angles C4'-P-C4' energy: -143.250 flat angles P-C4'-P energy: -93.415 tors. eta vs tors. theta energy: -189.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2251.532907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.532907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.532907 (E_RNA) where: Base-Base interactions energy: -1581.083 where: short stacking energy: -678.925 Base-Backbone interact. energy: -0.903 local terms energy: -669.546324 where: bonds (distance) C4'-P energy: -137.657 bonds (distance) P-C4' energy: -135.314 flat angles C4'-P-C4' energy: -144.405 flat angles P-C4'-P energy: -96.832 tors. eta vs tors. theta energy: -155.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1903.613681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.613681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.613681 (E_RNA) where: Base-Base interactions energy: -1306.624 where: short stacking energy: -579.232 Base-Backbone interact. energy: 2.183 local terms energy: -599.172340 where: bonds (distance) C4'-P energy: -122.110 bonds (distance) P-C4' energy: -120.199 flat angles C4'-P-C4' energy: -140.185 flat angles P-C4'-P energy: -84.537 tors. eta vs tors. theta energy: -132.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1751.645708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.645708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.645708 (E_RNA) where: Base-Base interactions energy: -1199.187 where: short stacking energy: -544.851 Base-Backbone interact. energy: 7.416 local terms energy: -559.874480 where: bonds (distance) C4'-P energy: -96.816 bonds (distance) P-C4' energy: -121.064 flat angles C4'-P-C4' energy: -143.750 flat angles P-C4'-P energy: -90.991 tors. eta vs tors. theta energy: -107.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1500.879810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.879810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.879810 (E_RNA) where: Base-Base interactions energy: -999.881 where: short stacking energy: -443.761 Base-Backbone interact. energy: -0.352 local terms energy: -500.646837 where: bonds (distance) C4'-P energy: -125.052 bonds (distance) P-C4' energy: -128.037 flat angles C4'-P-C4' energy: -129.813 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: -51.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3076.118872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.118872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.118872 (E_RNA) where: Base-Base interactions energy: -2203.103 where: short stacking energy: -916.557 Base-Backbone interact. energy: -5.491 local terms energy: -867.524934 where: bonds (distance) C4'-P energy: -160.005 bonds (distance) P-C4' energy: -146.593 flat angles C4'-P-C4' energy: -185.374 flat angles P-C4'-P energy: -122.728 tors. eta vs tors. theta energy: -252.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2935.201563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.201563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.201563 (E_RNA) where: Base-Base interactions energy: -2088.419 where: short stacking energy: -880.468 Base-Backbone interact. energy: -2.289 local terms energy: -844.494111 where: bonds (distance) C4'-P energy: -154.953 bonds (distance) P-C4' energy: -154.562 flat angles C4'-P-C4' energy: -184.078 flat angles P-C4'-P energy: -106.539 tors. eta vs tors. theta energy: -244.363 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: 3, replica: 10 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2858.142551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.142551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.142551 (E_RNA) where: Base-Base interactions energy: -2048.618 where: short stacking energy: -850.419 Base-Backbone interact. energy: -4.045 local terms energy: -805.479633 where: bonds (distance) C4'-P energy: -158.677 bonds (distance) P-C4' energy: -147.087 flat angles C4'-P-C4' energy: -176.842 flat angles P-C4'-P energy: -116.737 tors. eta vs tors. theta energy: -206.136 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: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2707.210979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.210979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.210979 (E_RNA) where: Base-Base interactions energy: -1922.961 where: short stacking energy: -801.345 Base-Backbone interact. energy: -5.778 local terms energy: -778.471343 where: bonds (distance) C4'-P energy: -147.561 bonds (distance) P-C4' energy: -146.986 flat angles C4'-P-C4' energy: -164.647 flat angles P-C4'-P energy: -100.337 tors. eta vs tors. theta energy: -218.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2517.277664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.277664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.277664 (E_RNA) where: Base-Base interactions energy: -1779.686 where: short stacking energy: -754.800 Base-Backbone interact. energy: -1.787 local terms energy: -735.804500 where: bonds (distance) C4'-P energy: -122.896 bonds (distance) P-C4' energy: -142.451 flat angles C4'-P-C4' energy: -158.970 flat angles P-C4'-P energy: -111.580 tors. eta vs tors. theta energy: -199.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2434.305733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.305733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.305733 (E_RNA) where: Base-Base interactions energy: -1755.844 where: short stacking energy: -711.138 Base-Backbone interact. energy: -0.276 local terms energy: -678.186017 where: bonds (distance) C4'-P energy: -140.325 bonds (distance) P-C4' energy: -138.831 flat angles C4'-P-C4' energy: -137.241 flat angles P-C4'-P energy: -82.025 tors. eta vs tors. theta energy: -179.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2204.091296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.091296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.091296 (E_RNA) where: Base-Base interactions energy: -1544.909 where: short stacking energy: -675.176 Base-Backbone interact. energy: -1.206 local terms energy: -657.977005 where: bonds (distance) C4'-P energy: -122.270 bonds (distance) P-C4' energy: -131.285 flat angles C4'-P-C4' energy: -139.535 flat angles P-C4'-P energy: -95.098 tors. eta vs tors. theta energy: -169.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1955.688064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.688064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.688064 (E_RNA) where: Base-Base interactions energy: -1309.486 where: short stacking energy: -573.639 Base-Backbone interact. energy: -0.732 local terms energy: -645.470338 where: bonds (distance) C4'-P energy: -129.430 bonds (distance) P-C4' energy: -146.088 flat angles C4'-P-C4' energy: -156.236 flat angles P-C4'-P energy: -92.463 tors. eta vs tors. theta energy: -121.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1712.151613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.151613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.151613 (E_RNA) where: Base-Base interactions energy: -1145.835 where: short stacking energy: -494.114 Base-Backbone interact. energy: -2.375 local terms energy: -563.941741 where: bonds (distance) C4'-P energy: -121.079 bonds (distance) P-C4' energy: -144.206 flat angles C4'-P-C4' energy: -117.407 flat angles P-C4'-P energy: -84.203 tors. eta vs tors. theta energy: -97.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1418.306207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.306207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.306207 (E_RNA) where: Base-Base interactions energy: -960.192 where: short stacking energy: -418.286 Base-Backbone interact. energy: -3.300 local terms energy: -454.814691 where: bonds (distance) C4'-P energy: -92.675 bonds (distance) P-C4' energy: -129.099 flat angles C4'-P-C4' energy: -119.172 flat angles P-C4'-P energy: -71.745 tors. eta vs tors. theta energy: -42.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3068.947410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.947410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.947410 (E_RNA) where: Base-Base interactions energy: -2188.069 where: short stacking energy: -903.701 Base-Backbone interact. energy: 0.194 local terms energy: -881.072213 where: bonds (distance) C4'-P energy: -154.223 bonds (distance) P-C4' energy: -166.287 flat angles C4'-P-C4' energy: -187.220 flat angles P-C4'-P energy: -120.545 tors. eta vs tors. theta energy: -252.798 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: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2884.791475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.791475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.791475 (E_RNA) where: Base-Base interactions energy: -2066.810 where: short stacking energy: -854.648 Base-Backbone interact. energy: -3.037 local terms energy: -814.944684 where: bonds (distance) C4'-P energy: -136.446 bonds (distance) P-C4' energy: -155.421 flat angles C4'-P-C4' energy: -189.183 flat angles P-C4'-P energy: -115.272 tors. eta vs tors. theta energy: -218.622 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: 3, replica: 7 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2871.995810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.995810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.995810 (E_RNA) where: Base-Base interactions energy: -2053.962 where: short stacking energy: -871.154 Base-Backbone interact. energy: 1.022 local terms energy: -819.056472 where: bonds (distance) C4'-P energy: -138.044 bonds (distance) P-C4' energy: -148.074 flat angles C4'-P-C4' energy: -181.271 flat angles P-C4'-P energy: -118.404 tors. eta vs tors. theta energy: -233.264 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: 3 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2726.278534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.278534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.278534 (E_RNA) where: Base-Base interactions energy: -1931.985 where: short stacking energy: -801.833 Base-Backbone interact. energy: -3.987 local terms energy: -790.307304 where: bonds (distance) C4'-P energy: -142.237 bonds (distance) P-C4' energy: -157.714 flat angles C4'-P-C4' energy: -169.347 flat angles P-C4'-P energy: -116.674 tors. eta vs tors. theta energy: -204.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2560.915461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.915461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.915461 (E_RNA) where: Base-Base interactions energy: -1805.712 where: short stacking energy: -751.478 Base-Backbone interact. energy: 1.057 local terms energy: -756.260495 where: bonds (distance) C4'-P energy: -154.327 bonds (distance) P-C4' energy: -148.267 flat angles C4'-P-C4' energy: -166.876 flat angles P-C4'-P energy: -95.349 tors. eta vs tors. theta energy: -191.441 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: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2487.795235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.795235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.795235 (E_RNA) where: Base-Base interactions energy: -1768.130 where: short stacking energy: -731.323 Base-Backbone interact. energy: -7.318 local terms energy: -712.346965 where: bonds (distance) C4'-P energy: -120.781 bonds (distance) P-C4' energy: -131.744 flat angles C4'-P-C4' energy: -165.208 flat angles P-C4'-P energy: -100.655 tors. eta vs tors. theta energy: -193.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2289.076207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.076207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.076207 (E_RNA) where: Base-Base interactions energy: -1606.088 where: short stacking energy: -675.631 Base-Backbone interact. energy: 2.215 local terms energy: -685.202781 where: bonds (distance) C4'-P energy: -134.836 bonds (distance) P-C4' energy: -134.989 flat angles C4'-P-C4' energy: -133.462 flat angles P-C4'-P energy: -109.051 tors. eta vs tors. theta energy: -172.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1992.060420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.060420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.060420 (E_RNA) where: Base-Base interactions energy: -1363.990 where: short stacking energy: -603.635 Base-Backbone interact. energy: -3.541 local terms energy: -624.529229 where: bonds (distance) C4'-P energy: -130.582 bonds (distance) P-C4' energy: -130.278 flat angles C4'-P-C4' energy: -130.522 flat angles P-C4'-P energy: -88.673 tors. eta vs tors. theta energy: -144.473 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: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1724.349182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.349182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.349182 (E_RNA) where: Base-Base interactions energy: -1160.408 where: short stacking energy: -501.276 Base-Backbone interact. energy: 1.321 local terms energy: -565.262498 where: bonds (distance) C4'-P energy: -109.692 bonds (distance) P-C4' energy: -147.515 flat angles C4'-P-C4' energy: -139.298 flat angles P-C4'-P energy: -87.330 tors. eta vs tors. theta energy: -81.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1462.665486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.665486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.665486 (E_RNA) where: Base-Base interactions energy: -949.443 where: short stacking energy: -412.609 Base-Backbone interact. energy: -0.543 local terms energy: -512.679435 where: bonds (distance) C4'-P energy: -128.669 bonds (distance) P-C4' energy: -126.109 flat angles C4'-P-C4' energy: -124.330 flat angles P-C4'-P energy: -70.404 tors. eta vs tors. theta energy: -63.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3066.681388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.681388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.681388 (E_RNA) where: Base-Base interactions energy: -2168.467 where: short stacking energy: -884.311 Base-Backbone interact. energy: -2.353 local terms energy: -895.861026 where: bonds (distance) C4'-P energy: -176.050 bonds (distance) P-C4' energy: -152.914 flat angles C4'-P-C4' energy: -187.052 flat angles P-C4'-P energy: -128.994 tors. eta vs tors. theta energy: -250.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2896.437681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.437681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.437681 (E_RNA) where: Base-Base interactions energy: -2083.286 where: short stacking energy: -846.747 Base-Backbone interact. energy: -5.163 local terms energy: -807.989050 where: bonds (distance) C4'-P energy: -151.311 bonds (distance) P-C4' energy: -148.487 flat angles C4'-P-C4' energy: -178.016 flat angles P-C4'-P energy: -119.912 tors. eta vs tors. theta energy: -210.263 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: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2864.588524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.588524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.588524 (E_RNA) where: Base-Base interactions energy: -2057.525 where: short stacking energy: -841.698 Base-Backbone interact. energy: -1.285 local terms energy: -805.779314 where: bonds (distance) C4'-P energy: -139.237 bonds (distance) P-C4' energy: -157.118 flat angles C4'-P-C4' energy: -160.607 flat angles P-C4'-P energy: -117.916 tors. eta vs tors. theta energy: -230.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2713.486214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.486214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.486214 (E_RNA) where: Base-Base interactions energy: -1939.100 where: short stacking energy: -804.172 Base-Backbone interact. energy: -0.603 local terms energy: -773.783348 where: bonds (distance) C4'-P energy: -143.221 bonds (distance) P-C4' energy: -145.719 flat angles C4'-P-C4' energy: -162.684 flat angles P-C4'-P energy: -99.061 tors. eta vs tors. theta energy: -223.099 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: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2540.361825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.361825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.361825 (E_RNA) where: Base-Base interactions energy: -1780.239 where: short stacking energy: -761.853 Base-Backbone interact. energy: 3.777 local terms energy: -763.900233 where: bonds (distance) C4'-P energy: -155.459 bonds (distance) P-C4' energy: -147.100 flat angles C4'-P-C4' energy: -173.146 flat angles P-C4'-P energy: -102.089 tors. eta vs tors. theta energy: -186.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2464.148854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.148854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.148854 (E_RNA) where: Base-Base interactions energy: -1782.601 where: short stacking energy: -737.922 Base-Backbone interact. energy: -7.989 local terms energy: -673.558682 where: bonds (distance) C4'-P energy: -126.091 bonds (distance) P-C4' energy: -125.339 flat angles C4'-P-C4' energy: -152.929 flat angles P-C4'-P energy: -77.877 tors. eta vs tors. theta energy: -191.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2267.453326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.453326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.453326 (E_RNA) where: Base-Base interactions energy: -1578.170 where: short stacking energy: -670.391 Base-Backbone interact. energy: 1.391 local terms energy: -690.674468 where: bonds (distance) C4'-P energy: -131.537 bonds (distance) P-C4' energy: -133.705 flat angles C4'-P-C4' energy: -162.788 flat angles P-C4'-P energy: -83.165 tors. eta vs tors. theta energy: -179.479 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: 8, replica: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1944.198980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.198980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.198980 (E_RNA) where: Base-Base interactions energy: -1313.254 where: short stacking energy: -603.420 Base-Backbone interact. energy: -0.147 local terms energy: -630.798764 where: bonds (distance) C4'-P energy: -132.235 bonds (distance) P-C4' energy: -132.409 flat angles C4'-P-C4' energy: -129.697 flat angles P-C4'-P energy: -95.517 tors. eta vs tors. theta energy: -140.942 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: 9, replica: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1733.152107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.152107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.152107 (E_RNA) where: Base-Base interactions energy: -1166.734 where: short stacking energy: -490.998 Base-Backbone interact. energy: 0.412 local terms energy: -566.830969 where: bonds (distance) C4'-P energy: -130.927 bonds (distance) P-C4' energy: -120.894 flat angles C4'-P-C4' energy: -150.534 flat angles P-C4'-P energy: -80.732 tors. eta vs tors. theta energy: -83.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1456.952739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.952739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.952739 (E_RNA) where: Base-Base interactions energy: -947.160 where: short stacking energy: -419.883 Base-Backbone interact. energy: 1.324 local terms energy: -511.116730 where: bonds (distance) C4'-P energy: -105.734 bonds (distance) P-C4' energy: -131.171 flat angles C4'-P-C4' energy: -142.172 flat angles P-C4'-P energy: -62.951 tors. eta vs tors. theta energy: -69.089 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: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3087.339988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.339988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.339988 (E_RNA) where: Base-Base interactions energy: -2202.314 where: short stacking energy: -928.360 Base-Backbone interact. energy: -5.533 local terms energy: -879.493213 where: bonds (distance) C4'-P energy: -159.762 bonds (distance) P-C4' energy: -163.858 flat angles C4'-P-C4' energy: -184.002 flat angles P-C4'-P energy: -109.334 tors. eta vs tors. theta energy: -262.537 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: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2940.929383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.929383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.929383 (E_RNA) where: Base-Base interactions energy: -2124.336 where: short stacking energy: -876.430 Base-Backbone interact. energy: -3.089 local terms energy: -813.504867 where: bonds (distance) C4'-P energy: -147.245 bonds (distance) P-C4' energy: -152.415 flat angles C4'-P-C4' energy: -189.671 flat angles P-C4'-P energy: -109.175 tors. eta vs tors. theta energy: -214.999 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: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2900.301019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.301019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.301019 (E_RNA) where: Base-Base interactions energy: -2067.375 where: short stacking energy: -858.787 Base-Backbone interact. energy: -2.840 local terms energy: -830.085822 where: bonds (distance) C4'-P energy: -148.142 bonds (distance) P-C4' energy: -151.510 flat angles C4'-P-C4' energy: -170.113 flat angles P-C4'-P energy: -128.830 tors. eta vs tors. theta energy: -231.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2732.655393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.655393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.655393 (E_RNA) where: Base-Base interactions energy: -1940.176 where: short stacking energy: -800.843 Base-Backbone interact. energy: -4.076 local terms energy: -788.403487 where: bonds (distance) C4'-P energy: -133.615 bonds (distance) P-C4' energy: -153.999 flat angles C4'-P-C4' energy: -161.529 flat angles P-C4'-P energy: -105.812 tors. eta vs tors. theta energy: -233.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2504.436931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.436931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.436931 (E_RNA) where: Base-Base interactions energy: -1745.388 where: short stacking energy: -731.516 Base-Backbone interact. energy: -3.352 local terms energy: -755.696756 where: bonds (distance) C4'-P energy: -146.639 bonds (distance) P-C4' energy: -147.318 flat angles C4'-P-C4' energy: -165.032 flat angles P-C4'-P energy: -110.451 tors. eta vs tors. theta energy: -186.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2466.669911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.669911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.669911 (E_RNA) where: Base-Base interactions energy: -1766.732 where: short stacking energy: -715.073 Base-Backbone interact. energy: 3.083 local terms energy: -703.020697 where: bonds (distance) C4'-P energy: -136.785 bonds (distance) P-C4' energy: -138.516 flat angles C4'-P-C4' energy: -158.696 flat angles P-C4'-P energy: -95.582 tors. eta vs tors. theta energy: -173.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2222.201818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.201818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.201818 (E_RNA) where: Base-Base interactions energy: -1549.732 where: short stacking energy: -669.632 Base-Backbone interact. energy: -6.293 local terms energy: -666.177608 where: bonds (distance) C4'-P energy: -120.314 bonds (distance) P-C4' energy: -146.573 flat angles C4'-P-C4' energy: -154.488 flat angles P-C4'-P energy: -95.591 tors. eta vs tors. theta energy: -149.213 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: 279 Temperature: 1.250000 Total energy: -2026.417552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.417552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.417552 (E_RNA) where: Base-Base interactions energy: -1369.876 where: short stacking energy: -620.039 Base-Backbone interact. energy: 1.015 local terms energy: -657.556992 where: bonds (distance) C4'-P energy: -125.899 bonds (distance) P-C4' energy: -138.101 flat angles C4'-P-C4' energy: -148.553 flat angles P-C4'-P energy: -104.116 tors. eta vs tors. theta energy: -140.887 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: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1744.242219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.242219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.242219 (E_RNA) where: Base-Base interactions energy: -1192.740 where: short stacking energy: -529.357 Base-Backbone interact. energy: -2.248 local terms energy: -549.254351 where: bonds (distance) C4'-P energy: -122.869 bonds (distance) P-C4' energy: -95.126 flat angles C4'-P-C4' energy: -121.735 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -121.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1379.513814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.513814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.513814 (E_RNA) where: Base-Base interactions energy: -865.270 where: short stacking energy: -393.486 Base-Backbone interact. energy: 2.638 local terms energy: -516.881058 where: bonds (distance) C4'-P energy: -107.178 bonds (distance) P-C4' energy: -148.922 flat angles C4'-P-C4' energy: -133.657 flat angles P-C4'-P energy: -78.253 tors. eta vs tors. theta energy: -48.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3084.997168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.997168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.997168 (E_RNA) where: Base-Base interactions energy: -2185.961 where: short stacking energy: -925.709 Base-Backbone interact. energy: -5.745 local terms energy: -893.291412 where: bonds (distance) C4'-P energy: -151.728 bonds (distance) P-C4' energy: -166.046 flat angles C4'-P-C4' energy: -181.345 flat angles P-C4'-P energy: -132.488 tors. eta vs tors. theta energy: -261.684 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: 2, replica: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2907.495097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.495097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.495097 (E_RNA) where: Base-Base interactions energy: -2067.563 where: short stacking energy: -844.034 Base-Backbone interact. energy: -5.510 local terms energy: -834.422005 where: bonds (distance) C4'-P energy: -153.006 bonds (distance) P-C4' energy: -163.677 flat angles C4'-P-C4' energy: -187.810 flat angles P-C4'-P energy: -118.566 tors. eta vs tors. theta energy: -211.363 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: 3, replica: 7 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2918.932107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.932107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.932107 (E_RNA) where: Base-Base interactions energy: -2095.432 where: short stacking energy: -851.634 Base-Backbone interact. energy: 1.041 local terms energy: -824.541256 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: -140.867 flat angles C4'-P-C4' energy: -182.002 flat angles P-C4'-P energy: -121.517 tors. eta vs tors. theta energy: -240.361 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: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2772.767964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.767964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.767964 (E_RNA) where: Base-Base interactions energy: -1938.802 where: short stacking energy: -798.324 Base-Backbone interact. energy: -5.105 local terms energy: -828.861720 where: bonds (distance) C4'-P energy: -159.069 bonds (distance) P-C4' energy: -151.039 flat angles C4'-P-C4' energy: -174.038 flat angles P-C4'-P energy: -115.034 tors. eta vs tors. theta energy: -229.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2514.799371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.799371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.799371 (E_RNA) where: Base-Base interactions energy: -1757.421 where: short stacking energy: -763.376 Base-Backbone interact. energy: -4.922 local terms energy: -752.456774 where: bonds (distance) C4'-P energy: -140.050 bonds (distance) P-C4' energy: -156.309 flat angles C4'-P-C4' energy: -152.432 flat angles P-C4'-P energy: -101.599 tors. eta vs tors. theta energy: -202.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2506.107534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.107534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.107534 (E_RNA) where: Base-Base interactions energy: -1773.006 where: short stacking energy: -716.093 Base-Backbone interact. energy: 1.745 local terms energy: -734.845909 where: bonds (distance) C4'-P energy: -121.865 bonds (distance) P-C4' energy: -157.066 flat angles C4'-P-C4' energy: -173.782 flat angles P-C4'-P energy: -99.628 tors. eta vs tors. theta energy: -182.505 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: 2 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2148.731670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.731670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.731670 (E_RNA) where: Base-Base interactions energy: -1511.489 where: short stacking energy: -654.990 Base-Backbone interact. energy: 4.730 local terms energy: -641.972564 where: bonds (distance) C4'-P energy: -122.719 bonds (distance) P-C4' energy: -139.743 flat angles C4'-P-C4' energy: -140.488 flat angles P-C4'-P energy: -95.891 tors. eta vs tors. theta energy: -143.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -2023.254283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.254283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.254283 (E_RNA) where: Base-Base interactions energy: -1367.780 where: short stacking energy: -633.850 Base-Backbone interact. energy: -3.515 local terms energy: -651.958932 where: bonds (distance) C4'-P energy: -124.522 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -146.124 flat angles P-C4'-P energy: -97.119 tors. eta vs tors. theta energy: -149.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1794.157782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.157782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.157782 (E_RNA) where: Base-Base interactions energy: -1190.140 where: short stacking energy: -531.081 Base-Backbone interact. energy: -1.943 local terms energy: -602.075333 where: bonds (distance) C4'-P energy: -137.641 bonds (distance) P-C4' energy: -129.633 flat angles C4'-P-C4' energy: -128.745 flat angles P-C4'-P energy: -98.772 tors. eta vs tors. theta energy: -107.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1396.622957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.622957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.622957 (E_RNA) where: Base-Base interactions energy: -887.352 where: short stacking energy: -404.214 Base-Backbone interact. energy: -1.996 local terms energy: -507.275303 where: bonds (distance) C4'-P energy: -120.187 bonds (distance) P-C4' energy: -129.298 flat angles C4'-P-C4' energy: -123.088 flat angles P-C4'-P energy: -98.882 tors. eta vs tors. theta energy: -35.821 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: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3120.106994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.106994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.106994 (E_RNA) where: Base-Base interactions energy: -2221.803 where: short stacking energy: -958.104 Base-Backbone interact. energy: -3.161 local terms energy: -895.143115 where: bonds (distance) C4'-P energy: -149.536 bonds (distance) P-C4' energy: -155.053 flat angles C4'-P-C4' energy: -196.042 flat angles P-C4'-P energy: -127.879 tors. eta vs tors. theta energy: -266.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2957.692236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.692236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.692236 (E_RNA) where: Base-Base interactions energy: -2120.779 where: short stacking energy: -892.196 Base-Backbone interact. energy: -3.342 local terms energy: -833.570524 where: bonds (distance) C4'-P energy: -146.873 bonds (distance) P-C4' energy: -149.441 flat angles C4'-P-C4' energy: -176.738 flat angles P-C4'-P energy: -119.726 tors. eta vs tors. theta energy: -240.793 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: 3, replica: 10 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2853.794331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.794331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.794331 (E_RNA) where: Base-Base interactions energy: -2046.260 where: short stacking energy: -853.890 Base-Backbone interact. energy: -3.201 local terms energy: -804.333493 where: bonds (distance) C4'-P energy: -147.436 bonds (distance) P-C4' energy: -152.728 flat angles C4'-P-C4' energy: -177.522 flat angles P-C4'-P energy: -115.485 tors. eta vs tors. theta energy: -211.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2768.542510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.542510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.542510 (E_RNA) where: Base-Base interactions energy: -2001.659 where: short stacking energy: -835.012 Base-Backbone interact. energy: 3.091 local terms energy: -769.975386 where: bonds (distance) C4'-P energy: -132.656 bonds (distance) P-C4' energy: -143.866 flat angles C4'-P-C4' energy: -168.625 flat angles P-C4'-P energy: -96.698 tors. eta vs tors. theta energy: -228.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2527.421231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.421231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.421231 (E_RNA) where: Base-Base interactions energy: -1785.256 where: short stacking energy: -721.412 Base-Backbone interact. energy: -5.009 local terms energy: -737.155749 where: bonds (distance) C4'-P energy: -134.541 bonds (distance) P-C4' energy: -154.812 flat angles C4'-P-C4' energy: -166.935 flat angles P-C4'-P energy: -99.547 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: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2482.541064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.541064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.541064 (E_RNA) where: Base-Base interactions energy: -1771.331 where: short stacking energy: -702.004 Base-Backbone interact. energy: -5.103 local terms energy: -706.106931 where: bonds (distance) C4'-P energy: -128.914 bonds (distance) P-C4' energy: -134.237 flat angles C4'-P-C4' energy: -151.667 flat angles P-C4'-P energy: -107.381 tors. eta vs tors. theta energy: -183.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2127.566395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.566395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.566395 (E_RNA) where: Base-Base interactions energy: -1506.848 where: short stacking energy: -619.347 Base-Backbone interact. energy: -0.341 local terms energy: -620.377060 where: bonds (distance) C4'-P energy: -104.524 bonds (distance) P-C4' energy: -142.513 flat angles C4'-P-C4' energy: -148.455 flat angles P-C4'-P energy: -80.497 tors. eta vs tors. theta energy: -144.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -2072.654393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.654393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.654393 (E_RNA) where: Base-Base interactions energy: -1414.952 where: short stacking energy: -622.828 Base-Backbone interact. energy: -2.709 local terms energy: -654.992803 where: bonds (distance) C4'-P energy: -128.548 bonds (distance) P-C4' energy: -123.722 flat angles C4'-P-C4' energy: -156.145 flat angles P-C4'-P energy: -86.655 tors. eta vs tors. theta energy: -159.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1765.050205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.050205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.050205 (E_RNA) where: Base-Base interactions energy: -1184.684 where: short stacking energy: -482.322 Base-Backbone interact. energy: -3.149 local terms energy: -577.217787 where: bonds (distance) C4'-P energy: -121.264 bonds (distance) P-C4' energy: -143.418 flat angles C4'-P-C4' energy: -120.148 flat angles P-C4'-P energy: -90.089 tors. eta vs tors. theta energy: -102.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1381.808486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.808486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.808486 (E_RNA) where: Base-Base interactions energy: -923.756 where: short stacking energy: -426.778 Base-Backbone interact. energy: 2.609 local terms energy: -460.661680 where: bonds (distance) C4'-P energy: -123.104 bonds (distance) P-C4' energy: -116.996 flat angles C4'-P-C4' energy: -101.183 flat angles P-C4'-P energy: -71.136 tors. eta vs tors. theta energy: -48.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3088.634482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.634482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.634482 (E_RNA) where: Base-Base interactions energy: -2186.131 where: short stacking energy: -907.402 Base-Backbone interact. energy: -0.551 local terms energy: -901.952070 where: bonds (distance) C4'-P energy: -172.372 bonds (distance) P-C4' energy: -156.426 flat angles C4'-P-C4' energy: -190.737 flat angles P-C4'-P energy: -124.527 tors. eta vs tors. theta energy: -257.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2955.340715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.340715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.340715 (E_RNA) where: Base-Base interactions energy: -2116.276 where: short stacking energy: -870.638 Base-Backbone interact. energy: -1.864 local terms energy: -837.200274 where: bonds (distance) C4'-P energy: -137.638 bonds (distance) P-C4' energy: -157.844 flat angles C4'-P-C4' energy: -186.498 flat angles P-C4'-P energy: -123.232 tors. eta vs tors. theta energy: -231.988 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: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2830.257943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.257943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.257943 (E_RNA) where: Base-Base interactions energy: -2013.427 where: short stacking energy: -837.145 Base-Backbone interact. energy: -6.759 local terms energy: -810.071856 where: bonds (distance) C4'-P energy: -151.507 bonds (distance) P-C4' energy: -153.673 flat angles C4'-P-C4' energy: -171.942 flat angles P-C4'-P energy: -119.912 tors. eta vs tors. theta energy: -213.039 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: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2764.542082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.542082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.542082 (E_RNA) where: Base-Base interactions energy: -1960.944 where: short stacking energy: -829.819 Base-Backbone interact. energy: -1.087 local terms energy: -802.510624 where: bonds (distance) C4'-P energy: -139.660 bonds (distance) P-C4' energy: -136.285 flat angles C4'-P-C4' energy: -174.110 flat angles P-C4'-P energy: -129.966 tors. eta vs tors. theta energy: -222.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2558.007014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.007014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.007014 (E_RNA) where: Base-Base interactions energy: -1815.867 where: short stacking energy: -731.330 Base-Backbone interact. energy: -5.322 local terms energy: -736.818464 where: bonds (distance) C4'-P energy: -134.494 bonds (distance) P-C4' energy: -146.159 flat angles C4'-P-C4' energy: -164.428 flat angles P-C4'-P energy: -106.493 tors. eta vs tors. theta energy: -185.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2423.042739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.042739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.042739 (E_RNA) where: Base-Base interactions energy: -1727.860 where: short stacking energy: -698.604 Base-Backbone interact. energy: -3.163 local terms energy: -692.019132 where: bonds (distance) C4'-P energy: -118.444 bonds (distance) P-C4' energy: -127.570 flat angles C4'-P-C4' energy: -173.803 flat angles P-C4'-P energy: -96.356 tors. eta vs tors. theta energy: -175.846 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: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2168.835607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.835607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.835607 (E_RNA) where: Base-Base interactions energy: -1505.883 where: short stacking energy: -640.232 Base-Backbone interact. energy: -2.112 local terms energy: -660.840932 where: bonds (distance) C4'-P energy: -130.749 bonds (distance) P-C4' energy: -126.487 flat angles C4'-P-C4' energy: -157.048 flat angles P-C4'-P energy: -101.404 tors. eta vs tors. theta energy: -145.153 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: 9 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -2071.660983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.660983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.660983 (E_RNA) where: Base-Base interactions energy: -1414.373 where: short stacking energy: -623.268 Base-Backbone interact. energy: -0.618 local terms energy: -656.670113 where: bonds (distance) C4'-P energy: -112.768 bonds (distance) P-C4' energy: -152.052 flat angles C4'-P-C4' energy: -151.245 flat angles P-C4'-P energy: -88.686 tors. eta vs tors. theta energy: -151.919 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: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1765.678183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.678183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.678183 (E_RNA) where: Base-Base interactions energy: -1174.842 where: short stacking energy: -530.778 Base-Backbone interact. energy: 3.061 local terms energy: -593.897224 where: bonds (distance) C4'-P energy: -136.948 bonds (distance) P-C4' energy: -122.570 flat angles C4'-P-C4' energy: -125.413 flat angles P-C4'-P energy: -95.724 tors. eta vs tors. theta energy: -113.242 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: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1529.011629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.011629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.011629 (E_RNA) where: Base-Base interactions energy: -1022.990 where: short stacking energy: -435.536 Base-Backbone interact. energy: -2.935 local terms energy: -503.086397 where: bonds (distance) C4'-P energy: -119.696 bonds (distance) P-C4' energy: -137.799 flat angles C4'-P-C4' energy: -109.235 flat angles P-C4'-P energy: -70.148 tors. eta vs tors. theta energy: -66.208 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: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3070.465494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.465494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.465494 (E_RNA) where: Base-Base interactions energy: -2191.039 where: short stacking energy: -909.053 Base-Backbone interact. energy: 0.515 local terms energy: -879.941097 where: bonds (distance) C4'-P energy: -162.580 bonds (distance) P-C4' energy: -158.869 flat angles C4'-P-C4' energy: -166.895 flat angles P-C4'-P energy: -132.065 tors. eta vs tors. theta energy: -259.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2971.368556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.368556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.368556 (E_RNA) where: Base-Base interactions energy: -2145.416 where: short stacking energy: -872.597 Base-Backbone interact. energy: 4.741 local terms energy: -830.693784 where: bonds (distance) C4'-P energy: -140.567 bonds (distance) P-C4' energy: -162.562 flat angles C4'-P-C4' energy: -177.279 flat angles P-C4'-P energy: -119.775 tors. eta vs tors. theta energy: -230.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2856.281012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.281012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.281012 (E_RNA) where: Base-Base interactions energy: -2056.320 where: short stacking energy: -837.433 Base-Backbone interact. energy: -1.387 local terms energy: -798.574001 where: bonds (distance) C4'-P energy: -157.099 bonds (distance) P-C4' energy: -161.834 flat angles C4'-P-C4' energy: -168.764 flat angles P-C4'-P energy: -109.391 tors. eta vs tors. theta energy: -201.487 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: 283 Temperature: 1.050000 Total energy: -2765.054994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.054994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.054994 (E_RNA) where: Base-Base interactions energy: -1978.674 where: short stacking energy: -820.686 Base-Backbone interact. energy: -2.465 local terms energy: -783.916430 where: bonds (distance) C4'-P energy: -140.450 bonds (distance) P-C4' energy: -143.600 flat angles C4'-P-C4' energy: -167.723 flat angles P-C4'-P energy: -113.810 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: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2538.230070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.230070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.230070 (E_RNA) where: Base-Base interactions energy: -1820.061 where: short stacking energy: -779.428 Base-Backbone interact. energy: -7.709 local terms energy: -710.460314 where: bonds (distance) C4'-P energy: -137.244 bonds (distance) P-C4' energy: -116.888 flat angles C4'-P-C4' energy: -160.830 flat angles P-C4'-P energy: -99.873 tors. eta vs tors. theta energy: -195.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2398.182041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.182041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.182041 (E_RNA) where: Base-Base interactions energy: -1701.394 where: short stacking energy: -701.907 Base-Backbone interact. energy: -3.640 local terms energy: -693.147593 where: bonds (distance) C4'-P energy: -132.619 bonds (distance) P-C4' energy: -143.131 flat angles C4'-P-C4' energy: -147.615 flat angles P-C4'-P energy: -91.550 tors. eta vs tors. theta energy: -178.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2225.212947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.212947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.212947 (E_RNA) where: Base-Base interactions energy: -1549.106 where: short stacking energy: -648.968 Base-Backbone interact. energy: -2.801 local terms energy: -673.305381 where: bonds (distance) C4'-P energy: -127.337 bonds (distance) P-C4' energy: -141.682 flat angles C4'-P-C4' energy: -155.671 flat angles P-C4'-P energy: -99.782 tors. eta vs tors. theta energy: -148.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -2085.267871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.267871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.267871 (E_RNA) where: Base-Base interactions energy: -1421.028 where: short stacking energy: -610.014 Base-Backbone interact. energy: -0.987 local terms energy: -663.252451 where: bonds (distance) C4'-P energy: -133.926 bonds (distance) P-C4' energy: -135.831 flat angles C4'-P-C4' energy: -150.533 flat angles P-C4'-P energy: -95.198 tors. eta vs tors. theta energy: -147.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1767.092752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.092752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.092752 (E_RNA) where: Base-Base interactions energy: -1190.732 where: short stacking energy: -526.554 Base-Backbone interact. energy: 2.776 local terms energy: -579.137155 where: bonds (distance) C4'-P energy: -112.715 bonds (distance) P-C4' energy: -122.032 flat angles C4'-P-C4' energy: -149.708 flat angles P-C4'-P energy: -88.528 tors. eta vs tors. theta energy: -106.155 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: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1510.858338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.858338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.858338 (E_RNA) where: Base-Base interactions energy: -997.002 where: short stacking energy: -447.796 Base-Backbone interact. energy: 13.279 local terms energy: -527.135993 where: bonds (distance) C4'-P energy: -114.880 bonds (distance) P-C4' energy: -135.130 flat angles C4'-P-C4' energy: -131.259 flat angles P-C4'-P energy: -64.872 tors. eta vs tors. theta energy: -80.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3068.528167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.528167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.528167 (E_RNA) where: Base-Base interactions energy: -2182.861 where: short stacking energy: -926.392 Base-Backbone interact. energy: -4.269 local terms energy: -881.398173 where: bonds (distance) C4'-P energy: -135.779 bonds (distance) P-C4' energy: -173.440 flat angles C4'-P-C4' energy: -184.363 flat angles P-C4'-P energy: -122.557 tors. eta vs tors. theta energy: -265.259 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: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2949.878328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.878328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.878328 (E_RNA) where: Base-Base interactions energy: -2088.777 where: short stacking energy: -880.076 Base-Backbone interact. energy: 1.904 local terms energy: -863.005886 where: bonds (distance) C4'-P energy: -142.750 bonds (distance) P-C4' energy: -167.457 flat angles C4'-P-C4' energy: -195.610 flat angles P-C4'-P energy: -121.254 tors. eta vs tors. theta energy: -235.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2880.417296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.417296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.417296 (E_RNA) where: Base-Base interactions energy: -2095.781 where: short stacking energy: -856.385 Base-Backbone interact. energy: -1.321 local terms energy: -783.315883 where: bonds (distance) C4'-P energy: -145.299 bonds (distance) P-C4' energy: -156.720 flat angles C4'-P-C4' energy: -174.574 flat angles P-C4'-P energy: -90.456 tors. eta vs tors. theta energy: -216.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2773.331222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.331222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.331222 (E_RNA) where: Base-Base interactions energy: -1984.525 where: short stacking energy: -822.079 Base-Backbone interact. energy: 5.320 local terms energy: -794.125979 where: bonds (distance) C4'-P energy: -120.364 bonds (distance) P-C4' energy: -157.592 flat angles C4'-P-C4' energy: -164.265 flat angles P-C4'-P energy: -126.851 tors. eta vs tors. theta energy: -225.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2520.070429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.070429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.070429 (E_RNA) where: Base-Base interactions energy: -1809.378 where: short stacking energy: -718.758 Base-Backbone interact. energy: -6.366 local terms energy: -704.327271 where: bonds (distance) C4'-P energy: -145.552 bonds (distance) P-C4' energy: -134.023 flat angles C4'-P-C4' energy: -157.819 flat angles P-C4'-P energy: -86.138 tors. eta vs tors. theta energy: -180.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2437.454496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.454496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.454496 (E_RNA) where: Base-Base interactions energy: -1762.609 where: short stacking energy: -710.394 Base-Backbone interact. energy: 1.416 local terms energy: -676.261644 where: bonds (distance) C4'-P energy: -123.480 bonds (distance) P-C4' energy: -136.426 flat angles C4'-P-C4' energy: -154.728 flat angles P-C4'-P energy: -100.457 tors. eta vs tors. theta energy: -161.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2243.939098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.939098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.939098 (E_RNA) where: Base-Base interactions energy: -1590.125 where: short stacking energy: -679.933 Base-Backbone interact. energy: 0.242 local terms energy: -654.056648 where: bonds (distance) C4'-P energy: -127.250 bonds (distance) P-C4' energy: -136.597 flat angles C4'-P-C4' energy: -155.668 flat angles P-C4'-P energy: -77.455 tors. eta vs tors. theta energy: -157.087 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: 284 Temperature: 1.250000 Total energy: -2048.693339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.693339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.693339 (E_RNA) where: Base-Base interactions energy: -1437.065 where: short stacking energy: -616.109 Base-Backbone interact. energy: -1.722 local terms energy: -609.906605 where: bonds (distance) C4'-P energy: -116.801 bonds (distance) P-C4' energy: -136.217 flat angles C4'-P-C4' energy: -150.059 flat angles P-C4'-P energy: -67.163 tors. eta vs tors. theta energy: -139.667 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: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1815.977780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.977780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.977780 (E_RNA) where: Base-Base interactions energy: -1243.659 where: short stacking energy: -530.996 Base-Backbone interact. energy: 3.043 local terms energy: -575.362020 where: bonds (distance) C4'-P energy: -120.087 bonds (distance) P-C4' energy: -126.935 flat angles C4'-P-C4' energy: -143.744 flat angles P-C4'-P energy: -71.085 tors. eta vs tors. theta energy: -113.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1512.565915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.565915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.565915 (E_RNA) where: Base-Base interactions energy: -996.393 where: short stacking energy: -443.500 Base-Backbone interact. energy: 8.164 local terms energy: -524.337232 where: bonds (distance) C4'-P energy: -129.918 bonds (distance) P-C4' energy: -129.100 flat angles C4'-P-C4' energy: -130.226 flat angles P-C4'-P energy: -74.407 tors. eta vs tors. theta energy: -60.687 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: 285 Temperature: 0.900000 Total energy: -3075.372347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.372347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.372347 (E_RNA) where: Base-Base interactions energy: -2174.312 where: short stacking energy: -922.379 Base-Backbone interact. energy: -3.629 local terms energy: -897.431894 where: bonds (distance) C4'-P energy: -155.512 bonds (distance) P-C4' energy: -156.843 flat angles C4'-P-C4' energy: -180.275 flat angles P-C4'-P energy: -139.546 tors. eta vs tors. theta energy: -265.255 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: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2956.788731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.788731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.788731 (E_RNA) where: Base-Base interactions energy: -2121.278 where: short stacking energy: -852.235 Base-Backbone interact. energy: -5.222 local terms energy: -830.288594 where: bonds (distance) C4'-P energy: -145.431 bonds (distance) P-C4' energy: -172.602 flat angles C4'-P-C4' energy: -176.447 flat angles P-C4'-P energy: -127.897 tors. eta vs tors. theta energy: -207.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2886.448857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.448857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.448857 (E_RNA) where: Base-Base interactions energy: -2085.988 where: short stacking energy: -858.199 Base-Backbone interact. energy: -2.696 local terms energy: -797.764958 where: bonds (distance) C4'-P energy: -135.779 bonds (distance) P-C4' energy: -151.836 flat angles C4'-P-C4' energy: -164.592 flat angles P-C4'-P energy: -109.005 tors. eta vs tors. theta energy: -236.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2820.329079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.329079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.329079 (E_RNA) where: Base-Base interactions energy: -2033.543 where: short stacking energy: -849.973 Base-Backbone interact. energy: -4.222 local terms energy: -782.563981 where: bonds (distance) C4'-P energy: -145.820 bonds (distance) P-C4' energy: -138.792 flat angles C4'-P-C4' energy: -164.977 flat angles P-C4'-P energy: -113.465 tors. eta vs tors. theta energy: -219.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2502.377646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.377646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.377646 (E_RNA) where: Base-Base interactions energy: -1780.065 where: short stacking energy: -719.981 Base-Backbone interact. energy: -3.614 local terms energy: -718.698998 where: bonds (distance) C4'-P energy: -148.884 bonds (distance) P-C4' energy: -138.077 flat angles C4'-P-C4' energy: -162.323 flat angles P-C4'-P energy: -99.564 tors. eta vs tors. theta energy: -169.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2472.362990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.362990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.362990 (E_RNA) where: Base-Base interactions energy: -1797.757 where: short stacking energy: -727.719 Base-Backbone interact. energy: -5.503 local terms energy: -669.103554 where: bonds (distance) C4'-P energy: -119.587 bonds (distance) P-C4' energy: -116.851 flat angles C4'-P-C4' energy: -147.751 flat angles P-C4'-P energy: -107.440 tors. eta vs tors. theta energy: -177.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2140.927789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.927789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.927789 (E_RNA) where: Base-Base interactions energy: -1473.666 where: short stacking energy: -621.562 Base-Backbone interact. energy: -2.283 local terms energy: -664.979220 where: bonds (distance) C4'-P energy: -134.300 bonds (distance) P-C4' energy: -154.543 flat angles C4'-P-C4' energy: -148.776 flat angles P-C4'-P energy: -94.318 tors. eta vs tors. theta energy: -133.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -2027.622021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.622021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.622021 (E_RNA) where: Base-Base interactions energy: -1396.015 where: short stacking energy: -611.332 Base-Backbone interact. energy: 1.343 local terms energy: -632.949959 where: bonds (distance) C4'-P energy: -123.850 bonds (distance) P-C4' energy: -131.611 flat angles C4'-P-C4' energy: -148.013 flat angles P-C4'-P energy: -100.051 tors. eta vs tors. theta energy: -129.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1762.680447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.680447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.680447 (E_RNA) where: Base-Base interactions energy: -1183.384 where: short stacking energy: -527.307 Base-Backbone interact. energy: 0.958 local terms energy: -580.253941 where: bonds (distance) C4'-P energy: -111.583 bonds (distance) P-C4' energy: -140.392 flat angles C4'-P-C4' energy: -142.313 flat angles P-C4'-P energy: -77.083 tors. eta vs tors. theta energy: -108.883 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: 285 Temperature: 1.350000 Total energy: -1448.027815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.027815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.027815 (E_RNA) where: Base-Base interactions energy: -926.279 where: short stacking energy: -405.250 Base-Backbone interact. energy: -1.962 local terms energy: -519.787033 where: bonds (distance) C4'-P energy: -131.789 bonds (distance) P-C4' energy: -114.975 flat angles C4'-P-C4' energy: -141.974 flat angles P-C4'-P energy: -73.255 tors. eta vs tors. theta energy: -57.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3101.869871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.869871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.869871 (E_RNA) where: Base-Base interactions energy: -2180.882 where: short stacking energy: -922.025 Base-Backbone interact. energy: -0.925 local terms energy: -920.063257 where: bonds (distance) C4'-P energy: -168.941 bonds (distance) P-C4' energy: -171.898 flat angles C4'-P-C4' energy: -186.053 flat angles P-C4'-P energy: -130.975 tors. eta vs tors. theta energy: -262.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2958.974084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.974084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.974084 (E_RNA) where: Base-Base interactions energy: -2162.387 where: short stacking energy: -886.663 Base-Backbone interact. energy: -3.703 local terms energy: -792.884178 where: bonds (distance) C4'-P energy: -149.384 bonds (distance) P-C4' energy: -158.403 flat angles C4'-P-C4' energy: -160.523 flat angles P-C4'-P energy: -116.225 tors. eta vs tors. theta energy: -208.349 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: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2908.144798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.144798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.144798 (E_RNA) where: Base-Base interactions energy: -2102.867 where: short stacking energy: -871.606 Base-Backbone interact. energy: -1.394 local terms energy: -803.883626 where: bonds (distance) C4'-P energy: -150.799 bonds (distance) P-C4' energy: -130.384 flat angles C4'-P-C4' energy: -178.807 flat angles P-C4'-P energy: -121.398 tors. eta vs tors. theta energy: -222.496 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: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2767.738331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.738331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.738331 (E_RNA) where: Base-Base interactions energy: -2003.683 where: short stacking energy: -816.799 Base-Backbone interact. energy: -1.054 local terms energy: -763.000611 where: bonds (distance) C4'-P energy: -138.535 bonds (distance) P-C4' energy: -150.128 flat angles C4'-P-C4' energy: -150.671 flat angles P-C4'-P energy: -110.194 tors. eta vs tors. theta energy: -213.472 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: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2506.061994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.061994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.061994 (E_RNA) where: Base-Base interactions energy: -1783.187 where: short stacking energy: -734.369 Base-Backbone interact. energy: -6.205 local terms energy: -716.670094 where: bonds (distance) C4'-P energy: -139.477 bonds (distance) P-C4' energy: -136.975 flat angles C4'-P-C4' energy: -171.630 flat angles P-C4'-P energy: -98.794 tors. eta vs tors. theta energy: -169.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2470.871465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.871465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.871465 (E_RNA) where: Base-Base interactions energy: -1775.038 where: short stacking energy: -725.468 Base-Backbone interact. energy: -7.619 local terms energy: -688.214377 where: bonds (distance) C4'-P energy: -120.434 bonds (distance) P-C4' energy: -146.039 flat angles C4'-P-C4' energy: -159.349 flat angles P-C4'-P energy: -87.876 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: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2167.815223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.815223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.815223 (E_RNA) where: Base-Base interactions energy: -1503.880 where: short stacking energy: -651.200 Base-Backbone interact. energy: 4.629 local terms energy: -668.564289 where: bonds (distance) C4'-P energy: -123.617 bonds (distance) P-C4' energy: -141.830 flat angles C4'-P-C4' energy: -161.447 flat angles P-C4'-P energy: -85.702 tors. eta vs tors. theta energy: -155.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -2006.270155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.270155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.270155 (E_RNA) where: Base-Base interactions energy: -1379.979 where: short stacking energy: -609.320 Base-Backbone interact. energy: 1.942 local terms energy: -628.233877 where: bonds (distance) C4'-P energy: -126.583 bonds (distance) P-C4' energy: -137.011 flat angles C4'-P-C4' energy: -137.438 flat angles P-C4'-P energy: -100.099 tors. eta vs tors. theta energy: -127.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1853.913549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.913549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.913549 (E_RNA) where: Base-Base interactions energy: -1272.425 where: short stacking energy: -536.443 Base-Backbone interact. energy: -1.159 local terms energy: -580.330141 where: bonds (distance) C4'-P energy: -135.030 bonds (distance) P-C4' energy: -117.643 flat angles C4'-P-C4' energy: -128.293 flat angles P-C4'-P energy: -82.596 tors. eta vs tors. theta energy: -116.768 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: 10, replica: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1435.381520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.381520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.381520 (E_RNA) where: Base-Base interactions energy: -936.035 where: short stacking energy: -406.470 Base-Backbone interact. energy: 2.058 local terms energy: -501.405374 where: bonds (distance) C4'-P energy: -98.456 bonds (distance) P-C4' energy: -147.110 flat angles C4'-P-C4' energy: -119.295 flat angles P-C4'-P energy: -78.135 tors. eta vs tors. theta energy: -58.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3081.158869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.158869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.158869 (E_RNA) where: Base-Base interactions energy: -2182.116 where: short stacking energy: -922.824 Base-Backbone interact. energy: -5.028 local terms energy: -894.014674 where: bonds (distance) C4'-P energy: -155.049 bonds (distance) P-C4' energy: -173.423 flat angles C4'-P-C4' energy: -180.387 flat angles P-C4'-P energy: -130.534 tors. eta vs tors. theta energy: -254.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2970.031899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.031899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.031899 (E_RNA) where: Base-Base interactions energy: -2108.229 where: short stacking energy: -883.959 Base-Backbone interact. energy: -3.995 local terms energy: -857.807770 where: bonds (distance) C4'-P energy: -157.877 bonds (distance) P-C4' energy: -146.206 flat angles C4'-P-C4' energy: -189.699 flat angles P-C4'-P energy: -118.739 tors. eta vs tors. theta energy: -245.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2847.612357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.612357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.612357 (E_RNA) where: Base-Base interactions energy: -2045.880 where: short stacking energy: -828.874 Base-Backbone interact. energy: -5.650 local terms energy: -796.082098 where: bonds (distance) C4'-P energy: -151.950 bonds (distance) P-C4' energy: -147.681 flat angles C4'-P-C4' energy: -180.874 flat angles P-C4'-P energy: -120.466 tors. eta vs tors. theta energy: -195.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2757.482579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.482579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.482579 (E_RNA) where: Base-Base interactions energy: -1993.411 where: short stacking energy: -814.410 Base-Backbone interact. energy: -3.575 local terms energy: -760.496878 where: bonds (distance) C4'-P energy: -128.629 bonds (distance) P-C4' energy: -147.736 flat angles C4'-P-C4' energy: -182.263 flat angles P-C4'-P energy: -91.662 tors. eta vs tors. theta energy: -210.207 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: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2496.136178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.136178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.136178 (E_RNA) where: Base-Base interactions energy: -1771.540 where: short stacking energy: -746.634 Base-Backbone interact. energy: 1.236 local terms energy: -725.832503 where: bonds (distance) C4'-P energy: -136.394 bonds (distance) P-C4' energy: -132.738 flat angles C4'-P-C4' energy: -179.415 flat angles P-C4'-P energy: -89.737 tors. eta vs tors. theta energy: -187.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2506.997974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.997974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.997974 (E_RNA) where: Base-Base interactions energy: -1781.504 where: short stacking energy: -745.259 Base-Backbone interact. energy: 0.493 local terms energy: -725.986827 where: bonds (distance) C4'-P energy: -131.142 bonds (distance) P-C4' energy: -139.682 flat angles C4'-P-C4' energy: -164.857 flat angles P-C4'-P energy: -114.043 tors. eta vs tors. theta energy: -176.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2213.984428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.984428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.984428 (E_RNA) where: Base-Base interactions energy: -1569.006 where: short stacking energy: -670.090 Base-Backbone interact. energy: -5.323 local terms energy: -639.654994 where: bonds (distance) C4'-P energy: -123.663 bonds (distance) P-C4' energy: -144.488 flat angles C4'-P-C4' energy: -149.257 flat angles P-C4'-P energy: -84.798 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: 8, replica: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1972.468610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.468610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.468610 (E_RNA) where: Base-Base interactions energy: -1368.783 where: short stacking energy: -591.206 Base-Backbone interact. energy: 1.275 local terms energy: -604.959940 where: bonds (distance) C4'-P energy: -131.473 bonds (distance) P-C4' energy: -124.826 flat angles C4'-P-C4' energy: -144.621 flat angles P-C4'-P energy: -96.356 tors. eta vs tors. theta energy: -107.684 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: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1813.474208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.474208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.474208 (E_RNA) where: Base-Base interactions energy: -1259.500 where: short stacking energy: -534.612 Base-Backbone interact. energy: -4.054 local terms energy: -549.919781 where: bonds (distance) C4'-P energy: -118.660 bonds (distance) P-C4' energy: -122.159 flat angles C4'-P-C4' energy: -115.465 flat angles P-C4'-P energy: -71.385 tors. eta vs tors. theta energy: -122.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1448.202787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.202787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.202787 (E_RNA) where: Base-Base interactions energy: -986.133 where: short stacking energy: -428.367 Base-Backbone interact. energy: -0.658 local terms energy: -461.412181 where: bonds (distance) C4'-P energy: -104.878 bonds (distance) P-C4' energy: -129.236 flat angles C4'-P-C4' energy: -96.851 flat angles P-C4'-P energy: -77.092 tors. eta vs tors. theta energy: -53.355 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: 288 Temperature: 0.900000 Total energy: -3074.381138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.381138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.381138 (E_RNA) where: Base-Base interactions energy: -2165.082 where: short stacking energy: -912.762 Base-Backbone interact. energy: -5.382 local terms energy: -903.917004 where: bonds (distance) C4'-P energy: -168.479 bonds (distance) P-C4' energy: -167.718 flat angles C4'-P-C4' energy: -190.181 flat angles P-C4'-P energy: -124.120 tors. eta vs tors. theta energy: -253.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2998.325224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.325224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.325224 (E_RNA) where: Base-Base interactions energy: -2140.923 where: short stacking energy: -896.406 Base-Backbone interact. energy: 1.360 local terms energy: -858.762707 where: bonds (distance) C4'-P energy: -157.171 bonds (distance) P-C4' energy: -144.713 flat angles C4'-P-C4' energy: -183.554 flat angles P-C4'-P energy: -126.206 tors. eta vs tors. theta energy: -247.119 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: 10 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2839.033981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.033981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.033981 (E_RNA) where: Base-Base interactions energy: -2031.965 where: short stacking energy: -841.237 Base-Backbone interact. energy: -2.224 local terms energy: -804.845227 where: bonds (distance) C4'-P energy: -153.260 bonds (distance) P-C4' energy: -155.568 flat angles C4'-P-C4' energy: -175.958 flat angles P-C4'-P energy: -117.976 tors. eta vs tors. theta energy: -202.083 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: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2775.226133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.226133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.226133 (E_RNA) where: Base-Base interactions energy: -1975.114 where: short stacking energy: -815.503 Base-Backbone interact. energy: -3.248 local terms energy: -796.863541 where: bonds (distance) C4'-P energy: -132.034 bonds (distance) P-C4' energy: -154.101 flat angles C4'-P-C4' energy: -184.895 flat angles P-C4'-P energy: -114.962 tors. eta vs tors. theta energy: -210.871 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: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2517.703790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.703790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.703790 (E_RNA) where: Base-Base interactions energy: -1781.874 where: short stacking energy: -746.757 Base-Backbone interact. energy: -4.347 local terms energy: -731.482671 where: bonds (distance) C4'-P energy: -126.617 bonds (distance) P-C4' energy: -142.083 flat angles C4'-P-C4' energy: -165.347 flat angles P-C4'-P energy: -95.560 tors. eta vs tors. theta energy: -201.875 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: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2497.484328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.484328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.484328 (E_RNA) where: Base-Base interactions energy: -1790.243 where: short stacking energy: -713.719 Base-Backbone interact. energy: -0.584 local terms energy: -706.657808 where: bonds (distance) C4'-P energy: -146.249 bonds (distance) P-C4' energy: -145.019 flat angles C4'-P-C4' energy: -137.340 flat angles P-C4'-P energy: -99.218 tors. eta vs tors. theta energy: -178.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2180.566488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.566488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.566488 (E_RNA) where: Base-Base interactions energy: -1520.737 where: short stacking energy: -668.045 Base-Backbone interact. energy: -1.784 local terms energy: -658.045676 where: bonds (distance) C4'-P energy: -134.711 bonds (distance) P-C4' energy: -134.687 flat angles C4'-P-C4' energy: -144.922 flat angles P-C4'-P energy: -82.169 tors. eta vs tors. theta energy: -161.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -2023.828706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.828706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.828706 (E_RNA) where: Base-Base interactions energy: -1377.044 where: short stacking energy: -581.779 Base-Backbone interact. energy: 6.130 local terms energy: -652.914160 where: bonds (distance) C4'-P energy: -130.348 bonds (distance) P-C4' energy: -158.772 flat angles C4'-P-C4' energy: -135.670 flat angles P-C4'-P energy: -103.798 tors. eta vs tors. theta energy: -124.326 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: 9, replica: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1833.999346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.999346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.999346 (E_RNA) where: Base-Base interactions energy: -1262.018 where: short stacking energy: -534.638 Base-Backbone interact. energy: 1.683 local terms energy: -573.664223 where: bonds (distance) C4'-P energy: -123.752 bonds (distance) P-C4' energy: -127.902 flat angles C4'-P-C4' energy: -127.658 flat angles P-C4'-P energy: -75.558 tors. eta vs tors. theta energy: -118.795 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: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1506.187313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.187313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.187313 (E_RNA) where: Base-Base interactions energy: -987.679 where: short stacking energy: -442.059 Base-Backbone interact. energy: -0.247 local terms energy: -518.260544 where: bonds (distance) C4'-P energy: -120.366 bonds (distance) P-C4' energy: -109.222 flat angles C4'-P-C4' energy: -121.619 flat angles P-C4'-P energy: -91.851 tors. eta vs tors. theta energy: -75.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3081.013881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.013881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.013881 (E_RNA) where: Base-Base interactions energy: -2199.293 where: short stacking energy: -948.600 Base-Backbone interact. energy: -3.628 local terms energy: -878.093126 where: bonds (distance) C4'-P energy: -155.751 bonds (distance) P-C4' energy: -166.368 flat angles C4'-P-C4' energy: -179.379 flat angles P-C4'-P energy: -112.014 tors. eta vs tors. theta energy: -264.580 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: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2999.079590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.079590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.079590 (E_RNA) where: Base-Base interactions energy: -2124.834 where: short stacking energy: -870.963 Base-Backbone interact. energy: 3.443 local terms energy: -877.688889 where: bonds (distance) C4'-P energy: -157.101 bonds (distance) P-C4' energy: -174.899 flat angles C4'-P-C4' energy: -184.437 flat angles P-C4'-P energy: -115.838 tors. eta vs tors. theta energy: -245.415 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: 10 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2831.530829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.530829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.530829 (E_RNA) where: Base-Base interactions energy: -2037.309 where: short stacking energy: -835.995 Base-Backbone interact. energy: 1.332 local terms energy: -795.554157 where: bonds (distance) C4'-P energy: -148.144 bonds (distance) P-C4' energy: -137.062 flat angles C4'-P-C4' energy: -177.301 flat angles P-C4'-P energy: -126.509 tors. eta vs tors. theta energy: -206.538 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: 3 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2803.674804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.674804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.674804 (E_RNA) where: Base-Base interactions energy: -1993.716 where: short stacking energy: -837.267 Base-Backbone interact. energy: -3.459 local terms energy: -806.500541 where: bonds (distance) C4'-P energy: -127.279 bonds (distance) P-C4' energy: -158.233 flat angles C4'-P-C4' energy: -176.154 flat angles P-C4'-P energy: -110.935 tors. eta vs tors. theta energy: -233.899 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: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2519.836264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.836264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.836264 (E_RNA) where: Base-Base interactions energy: -1767.633 where: short stacking energy: -717.884 Base-Backbone interact. energy: 2.208 local terms energy: -754.411138 where: bonds (distance) C4'-P energy: -141.091 bonds (distance) P-C4' energy: -134.250 flat angles C4'-P-C4' energy: -181.348 flat angles P-C4'-P energy: -100.225 tors. eta vs tors. theta energy: -197.497 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: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2490.304742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.304742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.304742 (E_RNA) where: Base-Base interactions energy: -1820.730 where: short stacking energy: -716.809 Base-Backbone interact. energy: 6.668 local terms energy: -676.243120 where: bonds (distance) C4'-P energy: -115.657 bonds (distance) P-C4' energy: -135.782 flat angles C4'-P-C4' energy: -149.609 flat angles P-C4'-P energy: -96.882 tors. eta vs tors. theta energy: -178.314 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: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2123.670473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.670473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.670473 (E_RNA) where: Base-Base interactions energy: -1479.743 where: short stacking energy: -642.405 Base-Backbone interact. energy: -2.429 local terms energy: -641.498369 where: bonds (distance) C4'-P energy: -118.590 bonds (distance) P-C4' energy: -147.830 flat angles C4'-P-C4' energy: -151.668 flat angles P-C4'-P energy: -88.969 tors. eta vs tors. theta energy: -134.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -2008.304808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.304808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.304808 (E_RNA) where: Base-Base interactions energy: -1368.597 where: short stacking energy: -583.533 Base-Backbone interact. energy: -5.981 local terms energy: -633.727138 where: bonds (distance) C4'-P energy: -128.791 bonds (distance) P-C4' energy: -126.240 flat angles C4'-P-C4' energy: -153.864 flat angles P-C4'-P energy: -81.584 tors. eta vs tors. theta energy: -143.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1765.576465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.576465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.576465 (E_RNA) where: Base-Base interactions energy: -1176.342 where: short stacking energy: -533.285 Base-Backbone interact. energy: 2.365 local terms energy: -591.598844 where: bonds (distance) C4'-P energy: -122.824 bonds (distance) P-C4' energy: -143.251 flat angles C4'-P-C4' energy: -127.783 flat angles P-C4'-P energy: -86.631 tors. eta vs tors. theta energy: -111.111 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: 289 Temperature: 1.350000 Total energy: -1591.199813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.199813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.199813 (E_RNA) where: Base-Base interactions energy: -1060.039 where: short stacking energy: -454.941 Base-Backbone interact. energy: 8.466 local terms energy: -539.627104 where: bonds (distance) C4'-P energy: -119.990 bonds (distance) P-C4' energy: -128.851 flat angles C4'-P-C4' energy: -117.514 flat angles P-C4'-P energy: -82.419 tors. eta vs tors. theta energy: -90.852 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: 1, replica: 7 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3060.798864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.798864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.798864 (E_RNA) where: Base-Base interactions energy: -2177.362 where: short stacking energy: -913.254 Base-Backbone interact. energy: 6.060 local terms energy: -889.497378 where: bonds (distance) C4'-P energy: -172.100 bonds (distance) P-C4' energy: -171.733 flat angles C4'-P-C4' energy: -188.166 flat angles P-C4'-P energy: -121.617 tors. eta vs tors. theta energy: -235.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -3058.619682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.619682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.619682 (E_RNA) where: Base-Base interactions energy: -2186.605 where: short stacking energy: -927.492 Base-Backbone interact. energy: -0.116 local terms energy: -871.898628 where: bonds (distance) C4'-P energy: -155.305 bonds (distance) P-C4' energy: -133.618 flat angles C4'-P-C4' energy: -187.191 flat angles P-C4'-P energy: -135.415 tors. eta vs tors. theta energy: -260.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2878.434392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.434392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.434392 (E_RNA) where: Base-Base interactions energy: -2062.723 where: short stacking energy: -845.593 Base-Backbone interact. energy: 4.633 local terms energy: -820.344753 where: bonds (distance) C4'-P energy: -159.046 bonds (distance) P-C4' energy: -146.160 flat angles C4'-P-C4' energy: -167.646 flat angles P-C4'-P energy: -115.179 tors. eta vs tors. theta energy: -232.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2759.416370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.416370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.416370 (E_RNA) where: Base-Base interactions energy: -1996.702 where: short stacking energy: -807.819 Base-Backbone interact. energy: -4.917 local terms energy: -757.797685 where: bonds (distance) C4'-P energy: -143.842 bonds (distance) P-C4' energy: -143.374 flat angles C4'-P-C4' energy: -166.022 flat angles P-C4'-P energy: -101.369 tors. eta vs tors. theta energy: -203.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2541.455369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.455369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.455369 (E_RNA) where: Base-Base interactions energy: -1781.391 where: short stacking energy: -725.370 Base-Backbone interact. energy: -1.463 local terms energy: -758.600658 where: bonds (distance) C4'-P energy: -145.054 bonds (distance) P-C4' energy: -147.176 flat angles C4'-P-C4' energy: -172.055 flat angles P-C4'-P energy: -94.577 tors. eta vs tors. theta energy: -199.738 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: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2471.374520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.374520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.374520 (E_RNA) where: Base-Base interactions energy: -1745.038 where: short stacking energy: -747.520 Base-Backbone interact. energy: -0.477 local terms energy: -725.859101 where: bonds (distance) C4'-P energy: -151.670 bonds (distance) P-C4' energy: -146.266 flat angles C4'-P-C4' energy: -159.254 flat angles P-C4'-P energy: -89.238 tors. eta vs tors. theta energy: -179.430 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: 2 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2192.586074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.586074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.586074 (E_RNA) where: Base-Base interactions energy: -1537.971 where: short stacking energy: -683.973 Base-Backbone interact. energy: -4.394 local terms energy: -650.220582 where: bonds (distance) C4'-P energy: -133.913 bonds (distance) P-C4' energy: -108.267 flat angles C4'-P-C4' energy: -151.431 flat angles P-C4'-P energy: -100.411 tors. eta vs tors. theta energy: -156.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -2008.116603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.116603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.116603 (E_RNA) where: Base-Base interactions energy: -1384.038 where: short stacking energy: -605.300 Base-Backbone interact. energy: 0.979 local terms energy: -625.058246 where: bonds (distance) C4'-P energy: -132.221 bonds (distance) P-C4' energy: -131.124 flat angles C4'-P-C4' energy: -147.990 flat angles P-C4'-P energy: -83.195 tors. eta vs tors. theta energy: -130.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1843.308159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.308159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.308159 (E_RNA) where: Base-Base interactions energy: -1268.260 where: short stacking energy: -532.849 Base-Backbone interact. energy: 5.485 local terms energy: -580.532833 where: bonds (distance) C4'-P energy: -114.163 bonds (distance) P-C4' energy: -142.355 flat angles C4'-P-C4' energy: -127.032 flat angles P-C4'-P energy: -80.970 tors. eta vs tors. theta energy: -116.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1588.563200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.563200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.563200 (E_RNA) where: Base-Base interactions energy: -1023.916 where: short stacking energy: -492.589 Base-Backbone interact. energy: 1.846 local terms energy: -566.492670 where: bonds (distance) C4'-P energy: -117.831 bonds (distance) P-C4' energy: -120.605 flat angles C4'-P-C4' energy: -143.181 flat angles P-C4'-P energy: -93.472 tors. eta vs tors. theta energy: -91.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3027.731860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.731860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.731860 (E_RNA) where: Base-Base interactions energy: -2154.794 where: short stacking energy: -884.847 Base-Backbone interact. energy: -0.936 local terms energy: -872.001061 where: bonds (distance) C4'-P energy: -158.618 bonds (distance) P-C4' energy: -166.666 flat angles C4'-P-C4' energy: -185.958 flat angles P-C4'-P energy: -125.212 tors. eta vs tors. theta energy: -235.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2988.073883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.073883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.073883 (E_RNA) where: Base-Base interactions energy: -2119.839 where: short stacking energy: -876.834 Base-Backbone interact. energy: -2.019 local terms energy: -866.215471 where: bonds (distance) C4'-P energy: -151.945 bonds (distance) P-C4' energy: -152.830 flat angles C4'-P-C4' energy: -183.221 flat angles P-C4'-P energy: -125.291 tors. eta vs tors. theta energy: -252.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2877.536197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.536197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.536197 (E_RNA) where: Base-Base interactions energy: -2082.613 where: short stacking energy: -843.059 Base-Backbone interact. energy: 6.964 local terms energy: -801.887147 where: bonds (distance) C4'-P energy: -144.944 bonds (distance) P-C4' energy: -144.901 flat angles C4'-P-C4' energy: -189.202 flat angles P-C4'-P energy: -101.110 tors. eta vs tors. theta energy: -221.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2749.441754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.441754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.441754 (E_RNA) where: Base-Base interactions energy: -1972.781 where: short stacking energy: -797.672 Base-Backbone interact. energy: -3.614 local terms energy: -773.046646 where: bonds (distance) C4'-P energy: -150.278 bonds (distance) P-C4' energy: -152.332 flat angles C4'-P-C4' energy: -157.690 flat angles P-C4'-P energy: -117.567 tors. eta vs tors. theta energy: -195.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2567.048421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.048421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.048421 (E_RNA) where: Base-Base interactions energy: -1808.329 where: short stacking energy: -767.496 Base-Backbone interact. energy: 0.585 local terms energy: -759.305041 where: bonds (distance) C4'-P energy: -144.028 bonds (distance) P-C4' energy: -153.737 flat angles C4'-P-C4' energy: -162.927 flat angles P-C4'-P energy: -99.183 tors. eta vs tors. theta energy: -199.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2395.746932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.746932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.746932 (E_RNA) where: Base-Base interactions energy: -1665.443 where: short stacking energy: -716.232 Base-Backbone interact. energy: 0.234 local terms energy: -730.537652 where: bonds (distance) C4'-P energy: -134.168 bonds (distance) P-C4' energy: -146.733 flat angles C4'-P-C4' energy: -158.702 flat angles P-C4'-P energy: -104.710 tors. eta vs tors. theta energy: -186.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2221.091524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.091524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.091524 (E_RNA) where: Base-Base interactions energy: -1550.491 where: short stacking energy: -668.800 Base-Backbone interact. energy: -2.587 local terms energy: -668.012578 where: bonds (distance) C4'-P energy: -102.599 bonds (distance) P-C4' energy: -145.102 flat angles C4'-P-C4' energy: -163.240 flat angles P-C4'-P energy: -104.299 tors. eta vs tors. theta energy: -152.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -2019.724422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.724422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.724422 (E_RNA) where: Base-Base interactions energy: -1370.800 where: short stacking energy: -594.334 Base-Backbone interact. energy: 3.569 local terms energy: -652.493048 where: bonds (distance) C4'-P energy: -135.979 bonds (distance) P-C4' energy: -145.335 flat angles C4'-P-C4' energy: -138.268 flat angles P-C4'-P energy: -94.025 tors. eta vs tors. theta energy: -138.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1779.691369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.691369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.691369 (E_RNA) where: Base-Base interactions energy: -1195.955 where: short stacking energy: -528.472 Base-Backbone interact. energy: -0.412 local terms energy: -583.324255 where: bonds (distance) C4'-P energy: -136.945 bonds (distance) P-C4' energy: -136.146 flat angles C4'-P-C4' energy: -122.095 flat angles P-C4'-P energy: -93.693 tors. eta vs tors. theta energy: -94.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1573.144162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.144162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.144162 (E_RNA) where: Base-Base interactions energy: -1024.838 where: short stacking energy: -449.190 Base-Backbone interact. energy: 1.783 local terms energy: -550.089536 where: bonds (distance) C4'-P energy: -129.092 bonds (distance) P-C4' energy: -130.903 flat angles C4'-P-C4' energy: -123.586 flat angles P-C4'-P energy: -83.204 tors. eta vs tors. theta energy: -83.305 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: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3063.402408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.402408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.402408 (E_RNA) where: Base-Base interactions energy: -2187.357 where: short stacking energy: -901.597 Base-Backbone interact. energy: -7.485 local terms energy: -868.560010 where: bonds (distance) C4'-P energy: -147.447 bonds (distance) P-C4' energy: -160.128 flat angles C4'-P-C4' energy: -187.533 flat angles P-C4'-P energy: -120.226 tors. eta vs tors. theta energy: -253.227 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: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2991.746220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.746220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.746220 (E_RNA) where: Base-Base interactions energy: -2134.639 where: short stacking energy: -876.127 Base-Backbone interact. energy: -2.559 local terms energy: -854.548352 where: bonds (distance) C4'-P energy: -158.553 bonds (distance) P-C4' energy: -163.600 flat angles C4'-P-C4' energy: -166.928 flat angles P-C4'-P energy: -132.848 tors. eta vs tors. theta energy: -232.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2868.561532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.561532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.561532 (E_RNA) where: Base-Base interactions energy: -2072.084 where: short stacking energy: -846.916 Base-Backbone interact. energy: -0.218 local terms energy: -796.259268 where: bonds (distance) C4'-P energy: -138.082 bonds (distance) P-C4' energy: -144.973 flat angles C4'-P-C4' energy: -179.767 flat angles P-C4'-P energy: -106.084 tors. eta vs tors. theta energy: -227.352 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: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2705.783478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.783478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.783478 (E_RNA) where: Base-Base interactions energy: -1959.318 where: short stacking energy: -776.890 Base-Backbone interact. energy: 0.686 local terms energy: -747.151555 where: bonds (distance) C4'-P energy: -125.725 bonds (distance) P-C4' energy: -159.698 flat angles C4'-P-C4' energy: -156.901 flat angles P-C4'-P energy: -117.710 tors. eta vs tors. theta energy: -187.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2552.762721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.762721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.762721 (E_RNA) where: Base-Base interactions energy: -1817.730 where: short stacking energy: -771.472 Base-Backbone interact. energy: -1.579 local terms energy: -733.453805 where: bonds (distance) C4'-P energy: -121.743 bonds (distance) P-C4' energy: -147.721 flat angles C4'-P-C4' energy: -156.070 flat angles P-C4'-P energy: -109.260 tors. eta vs tors. theta energy: -198.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2441.244808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.244808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.244808 (E_RNA) where: Base-Base interactions energy: -1745.888 where: short stacking energy: -751.223 Base-Backbone interact. energy: 1.913 local terms energy: -697.269087 where: bonds (distance) C4'-P energy: -139.501 bonds (distance) P-C4' energy: -115.566 flat angles C4'-P-C4' energy: -157.281 flat angles P-C4'-P energy: -90.506 tors. eta vs tors. theta energy: -194.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2243.701698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.701698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.701698 (E_RNA) where: Base-Base interactions energy: -1557.739 where: short stacking energy: -664.325 Base-Backbone interact. energy: 2.530 local terms energy: -688.492501 where: bonds (distance) C4'-P energy: -130.656 bonds (distance) P-C4' energy: -137.263 flat angles C4'-P-C4' energy: -154.474 flat angles P-C4'-P energy: -102.990 tors. eta vs tors. theta energy: -163.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1994.834334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.834334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.834334 (E_RNA) where: Base-Base interactions energy: -1363.857 where: short stacking energy: -577.811 Base-Backbone interact. energy: -3.569 local terms energy: -627.408135 where: bonds (distance) C4'-P energy: -123.900 bonds (distance) P-C4' energy: -130.975 flat angles C4'-P-C4' energy: -157.648 flat angles P-C4'-P energy: -82.314 tors. eta vs tors. theta energy: -132.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1807.920553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.920553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.920553 (E_RNA) where: Base-Base interactions energy: -1193.991 where: short stacking energy: -521.014 Base-Backbone interact. energy: 5.202 local terms energy: -619.131655 where: bonds (distance) C4'-P energy: -119.768 bonds (distance) P-C4' energy: -134.919 flat angles C4'-P-C4' energy: -143.751 flat angles P-C4'-P energy: -94.048 tors. eta vs tors. theta energy: -126.645 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: 6 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1538.055212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.055212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.055212 (E_RNA) where: Base-Base interactions energy: -1022.136 where: short stacking energy: -449.885 Base-Backbone interact. energy: 0.042 local terms energy: -515.960875 where: bonds (distance) C4'-P energy: -115.252 bonds (distance) P-C4' energy: -134.892 flat angles C4'-P-C4' energy: -114.630 flat angles P-C4'-P energy: -67.271 tors. eta vs tors. theta energy: -83.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3050.957464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.957464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.957464 (E_RNA) where: Base-Base interactions energy: -2168.107 where: short stacking energy: -922.379 Base-Backbone interact. energy: 0.894 local terms energy: -883.744069 where: bonds (distance) C4'-P energy: -160.511 bonds (distance) P-C4' energy: -156.705 flat angles C4'-P-C4' energy: -196.071 flat angles P-C4'-P energy: -114.882 tors. eta vs tors. theta energy: -255.576 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: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2964.300108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.300108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.300108 (E_RNA) where: Base-Base interactions energy: -2115.691 where: short stacking energy: -865.507 Base-Backbone interact. energy: -3.310 local terms energy: -845.298944 where: bonds (distance) C4'-P energy: -134.624 bonds (distance) P-C4' energy: -168.508 flat angles C4'-P-C4' energy: -182.493 flat angles P-C4'-P energy: -125.659 tors. eta vs tors. theta energy: -234.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2879.755687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.755687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.755687 (E_RNA) where: Base-Base interactions energy: -2060.245 where: short stacking energy: -820.431 Base-Backbone interact. energy: -4.892 local terms energy: -814.619524 where: bonds (distance) C4'-P energy: -147.710 bonds (distance) P-C4' energy: -154.217 flat angles C4'-P-C4' energy: -170.617 flat angles P-C4'-P energy: -115.540 tors. eta vs tors. theta energy: -226.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2730.608791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.608791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.608791 (E_RNA) where: Base-Base interactions energy: -1951.327 where: short stacking energy: -802.898 Base-Backbone interact. energy: -1.743 local terms energy: -777.538701 where: bonds (distance) C4'-P energy: -161.201 bonds (distance) P-C4' energy: -129.167 flat angles C4'-P-C4' energy: -169.338 flat angles P-C4'-P energy: -114.974 tors. eta vs tors. theta energy: -202.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2590.583862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.583862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.583862 (E_RNA) where: Base-Base interactions energy: -1847.823 where: short stacking energy: -742.417 Base-Backbone interact. energy: 0.128 local terms energy: -742.888777 where: bonds (distance) C4'-P energy: -129.772 bonds (distance) P-C4' energy: -151.484 flat angles C4'-P-C4' energy: -167.049 flat angles P-C4'-P energy: -107.495 tors. eta vs tors. theta energy: -187.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2439.865376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.865376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.865376 (E_RNA) where: Base-Base interactions energy: -1753.467 where: short stacking energy: -711.645 Base-Backbone interact. energy: 3.281 local terms energy: -689.679513 where: bonds (distance) C4'-P energy: -116.343 bonds (distance) P-C4' energy: -150.048 flat angles C4'-P-C4' energy: -152.037 flat angles P-C4'-P energy: -93.041 tors. eta vs tors. theta energy: -178.210 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: 7, replica: 2 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2158.798230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.798230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.798230 (E_RNA) where: Base-Base interactions energy: -1532.548 where: short stacking energy: -634.106 Base-Backbone interact. energy: 0.458 local terms energy: -626.708325 where: bonds (distance) C4'-P energy: -130.270 bonds (distance) P-C4' energy: -124.060 flat angles C4'-P-C4' energy: -141.943 flat angles P-C4'-P energy: -89.276 tors. eta vs tors. theta energy: -141.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1988.138067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.138067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.138067 (E_RNA) where: Base-Base interactions energy: -1353.980 where: short stacking energy: -581.016 Base-Backbone interact. energy: -3.211 local terms energy: -630.947330 where: bonds (distance) C4'-P energy: -132.549 bonds (distance) P-C4' energy: -134.792 flat angles C4'-P-C4' energy: -139.593 flat angles P-C4'-P energy: -93.125 tors. eta vs tors. theta energy: -130.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1755.799036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.799036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.799036 (E_RNA) where: Base-Base interactions energy: -1170.461 where: short stacking energy: -468.770 Base-Backbone interact. energy: -1.034 local terms energy: -584.304428 where: bonds (distance) C4'-P energy: -130.912 bonds (distance) P-C4' energy: -130.012 flat angles C4'-P-C4' energy: -130.267 flat angles P-C4'-P energy: -95.791 tors. eta vs tors. theta energy: -97.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1514.723711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.723711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.723711 (E_RNA) where: Base-Base interactions energy: -963.355 where: short stacking energy: -425.187 Base-Backbone interact. energy: -0.674 local terms energy: -550.694972 where: bonds (distance) C4'-P energy: -129.370 bonds (distance) P-C4' energy: -138.399 flat angles C4'-P-C4' energy: -117.626 flat angles P-C4'-P energy: -93.279 tors. eta vs tors. theta energy: -72.021 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: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3063.225687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.225687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.225687 (E_RNA) where: Base-Base interactions energy: -2155.120 where: short stacking energy: -919.555 Base-Backbone interact. energy: -2.411 local terms energy: -905.694891 where: bonds (distance) C4'-P energy: -166.836 bonds (distance) P-C4' energy: -164.274 flat angles C4'-P-C4' energy: -185.422 flat angles P-C4'-P energy: -133.470 tors. eta vs tors. theta energy: -255.692 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: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2972.873456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.873456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.873456 (E_RNA) where: Base-Base interactions energy: -2127.336 where: short stacking energy: -888.851 Base-Backbone interact. energy: -1.006 local terms energy: -844.531036 where: bonds (distance) C4'-P energy: -152.244 bonds (distance) P-C4' energy: -167.019 flat angles C4'-P-C4' energy: -179.297 flat angles P-C4'-P energy: -111.649 tors. eta vs tors. theta energy: -234.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2872.374972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.374972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.374972 (E_RNA) where: Base-Base interactions energy: -2083.957 where: short stacking energy: -837.881 Base-Backbone interact. energy: -3.205 local terms energy: -785.213152 where: bonds (distance) C4'-P energy: -152.281 bonds (distance) P-C4' energy: -134.680 flat angles C4'-P-C4' energy: -173.242 flat angles P-C4'-P energy: -104.869 tors. eta vs tors. theta energy: -220.141 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: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2669.943238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.943238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.943238 (E_RNA) where: Base-Base interactions energy: -1917.838 where: short stacking energy: -756.736 Base-Backbone interact. energy: -7.551 local terms energy: -744.554383 where: bonds (distance) C4'-P energy: -140.168 bonds (distance) P-C4' energy: -147.343 flat angles C4'-P-C4' energy: -168.605 flat angles P-C4'-P energy: -95.847 tors. eta vs tors. theta energy: -192.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2553.361313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.361313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.361313 (E_RNA) where: Base-Base interactions energy: -1826.934 where: short stacking energy: -747.176 Base-Backbone interact. energy: 4.565 local terms energy: -730.991970 where: bonds (distance) C4'-P energy: -127.610 bonds (distance) P-C4' energy: -151.734 flat angles C4'-P-C4' energy: -167.688 flat angles P-C4'-P energy: -95.991 tors. eta vs tors. theta energy: -187.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2407.392103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.392103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.392103 (E_RNA) where: Base-Base interactions energy: -1719.157 where: short stacking energy: -742.251 Base-Backbone interact. energy: 3.121 local terms energy: -691.356083 where: bonds (distance) C4'-P energy: -127.626 bonds (distance) P-C4' energy: -132.046 flat angles C4'-P-C4' energy: -159.693 flat angles P-C4'-P energy: -89.032 tors. eta vs tors. theta energy: -182.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2176.693022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.693022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.693022 (E_RNA) where: Base-Base interactions energy: -1541.277 where: short stacking energy: -655.378 Base-Backbone interact. energy: -1.848 local terms energy: -633.568259 where: bonds (distance) C4'-P energy: -122.366 bonds (distance) P-C4' energy: -137.519 flat angles C4'-P-C4' energy: -140.547 flat angles P-C4'-P energy: -95.746 tors. eta vs tors. theta energy: -137.389 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: 294 Temperature: 1.250000 Total energy: -1917.261819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.261819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.261819 (E_RNA) where: Base-Base interactions energy: -1348.734 where: short stacking energy: -579.309 Base-Backbone interact. energy: -0.415 local terms energy: -568.113528 where: bonds (distance) C4'-P energy: -127.018 bonds (distance) P-C4' energy: -130.141 flat angles C4'-P-C4' energy: -121.540 flat angles P-C4'-P energy: -71.581 tors. eta vs tors. theta energy: -117.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1717.688461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.688461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.688461 (E_RNA) where: Base-Base interactions energy: -1151.409 where: short stacking energy: -499.137 Base-Backbone interact. energy: -0.521 local terms energy: -565.758974 where: bonds (distance) C4'-P energy: -132.462 bonds (distance) P-C4' energy: -126.454 flat angles C4'-P-C4' energy: -125.093 flat angles P-C4'-P energy: -75.443 tors. eta vs tors. theta energy: -106.307 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: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1559.169064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.169064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.169064 (E_RNA) where: Base-Base interactions energy: -1004.031 where: short stacking energy: -451.220 Base-Backbone interact. energy: 0.887 local terms energy: -556.025300 where: bonds (distance) C4'-P energy: -141.766 bonds (distance) P-C4' energy: -110.483 flat angles C4'-P-C4' energy: -134.627 flat angles P-C4'-P energy: -84.694 tors. eta vs tors. theta energy: -84.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3093.775118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.775118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.775118 (E_RNA) where: Base-Base interactions energy: -2198.782 where: short stacking energy: -931.824 Base-Backbone interact. energy: -2.514 local terms energy: -892.478707 where: bonds (distance) C4'-P energy: -151.158 bonds (distance) P-C4' energy: -168.282 flat angles C4'-P-C4' energy: -186.315 flat angles P-C4'-P energy: -125.796 tors. eta vs tors. theta energy: -260.927 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: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2974.727837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.727837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.727837 (E_RNA) where: Base-Base interactions energy: -2101.607 where: short stacking energy: -874.731 Base-Backbone interact. energy: -2.905 local terms energy: -870.215921 where: bonds (distance) C4'-P energy: -148.832 bonds (distance) P-C4' energy: -177.963 flat angles C4'-P-C4' energy: -184.777 flat angles P-C4'-P energy: -114.366 tors. eta vs tors. theta energy: -244.279 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: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2836.934081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.934081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.934081 (E_RNA) where: Base-Base interactions energy: -2014.932 where: short stacking energy: -825.694 Base-Backbone interact. energy: -4.453 local terms energy: -817.549080 where: bonds (distance) C4'-P energy: -151.299 bonds (distance) P-C4' energy: -162.018 flat angles C4'-P-C4' energy: -179.279 flat angles P-C4'-P energy: -107.170 tors. eta vs tors. theta energy: -217.784 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: 295 Temperature: 1.050000 Total energy: -2718.061864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.061864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.061864 (E_RNA) where: Base-Base interactions energy: -1967.968 where: short stacking energy: -767.436 Base-Backbone interact. energy: -2.997 local terms energy: -747.097097 where: bonds (distance) C4'-P energy: -139.752 bonds (distance) P-C4' energy: -160.285 flat angles C4'-P-C4' energy: -153.755 flat angles P-C4'-P energy: -99.811 tors. eta vs tors. theta energy: -193.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2529.132133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.132133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.132133 (E_RNA) where: Base-Base interactions energy: -1777.813 where: short stacking energy: -733.306 Base-Backbone interact. energy: -2.563 local terms energy: -748.756572 where: bonds (distance) C4'-P energy: -151.938 bonds (distance) P-C4' energy: -150.314 flat angles C4'-P-C4' energy: -164.334 flat angles P-C4'-P energy: -98.659 tors. eta vs tors. theta energy: -183.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2374.382223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.382223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.382223 (E_RNA) where: Base-Base interactions energy: -1705.793 where: short stacking energy: -722.092 Base-Backbone interact. energy: -4.424 local terms energy: -664.164868 where: bonds (distance) C4'-P energy: -101.501 bonds (distance) P-C4' energy: -146.831 flat angles C4'-P-C4' energy: -147.105 flat angles P-C4'-P energy: -95.425 tors. eta vs tors. theta energy: -173.303 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: 7, replica: 2 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2163.519650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.519650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.519650 (E_RNA) where: Base-Base interactions energy: -1530.607 where: short stacking energy: -653.840 Base-Backbone interact. energy: -4.050 local terms energy: -628.862353 where: bonds (distance) C4'-P energy: -111.344 bonds (distance) P-C4' energy: -131.428 flat angles C4'-P-C4' energy: -145.808 flat angles P-C4'-P energy: -95.926 tors. eta vs tors. theta energy: -144.356 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: 295 Temperature: 1.250000 Total energy: -2012.508921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.508921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.508921 (E_RNA) where: Base-Base interactions energy: -1381.673 where: short stacking energy: -582.022 Base-Backbone interact. energy: -4.347 local terms energy: -626.488901 where: bonds (distance) C4'-P energy: -134.348 bonds (distance) P-C4' energy: -132.094 flat angles C4'-P-C4' energy: -134.218 flat angles P-C4'-P energy: -94.450 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: 5 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1831.014850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.014850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.014850 (E_RNA) where: Base-Base interactions energy: -1236.060 where: short stacking energy: -519.972 Base-Backbone interact. energy: 0.621 local terms energy: -595.576189 where: bonds (distance) C4'-P energy: -126.997 bonds (distance) P-C4' energy: -131.288 flat angles C4'-P-C4' energy: -138.379 flat angles P-C4'-P energy: -90.303 tors. eta vs tors. theta energy: -108.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1569.805355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.805355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.805355 (E_RNA) where: Base-Base interactions energy: -1026.095 where: short stacking energy: -476.824 Base-Backbone interact. energy: -2.814 local terms energy: -540.896091 where: bonds (distance) C4'-P energy: -130.314 bonds (distance) P-C4' energy: -127.519 flat angles C4'-P-C4' energy: -130.390 flat angles P-C4'-P energy: -73.805 tors. eta vs tors. theta energy: -78.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3051.770864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.770864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.770864 (E_RNA) where: Base-Base interactions energy: -2171.660 where: short stacking energy: -913.379 Base-Backbone interact. energy: -0.108 local terms energy: -880.002938 where: bonds (distance) C4'-P energy: -153.801 bonds (distance) P-C4' energy: -162.935 flat angles C4'-P-C4' energy: -183.999 flat angles P-C4'-P energy: -121.859 tors. eta vs tors. theta energy: -257.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2985.837434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.837434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.837434 (E_RNA) where: Base-Base interactions energy: -2123.120 where: short stacking energy: -879.133 Base-Backbone interact. energy: -3.714 local terms energy: -859.003393 where: bonds (distance) C4'-P energy: -163.732 bonds (distance) P-C4' energy: -156.955 flat angles C4'-P-C4' energy: -183.729 flat angles P-C4'-P energy: -117.907 tors. eta vs tors. theta energy: -236.679 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: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2833.590460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.590460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.590460 (E_RNA) where: Base-Base interactions energy: -2027.273 where: short stacking energy: -859.480 Base-Backbone interact. energy: -1.973 local terms energy: -804.344129 where: bonds (distance) C4'-P energy: -150.627 bonds (distance) P-C4' energy: -153.460 flat angles C4'-P-C4' energy: -176.842 flat angles P-C4'-P energy: -105.425 tors. eta vs tors. theta energy: -217.990 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: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2778.657131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.657131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.657131 (E_RNA) where: Base-Base interactions energy: -2011.331 where: short stacking energy: -801.313 Base-Backbone interact. energy: -1.677 local terms energy: -765.648772 where: bonds (distance) C4'-P energy: -136.070 bonds (distance) P-C4' energy: -141.261 flat angles C4'-P-C4' energy: -175.269 flat angles P-C4'-P energy: -118.994 tors. eta vs tors. theta energy: -194.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2551.826148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.826148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.826148 (E_RNA) where: Base-Base interactions energy: -1781.703 where: short stacking energy: -733.404 Base-Backbone interact. energy: -1.206 local terms energy: -768.916598 where: bonds (distance) C4'-P energy: -142.523 bonds (distance) P-C4' energy: -144.785 flat angles C4'-P-C4' energy: -168.141 flat angles P-C4'-P energy: -112.987 tors. eta vs tors. theta energy: -200.480 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: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2429.767636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.767636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.767636 (E_RNA) where: Base-Base interactions energy: -1754.960 where: short stacking energy: -713.016 Base-Backbone interact. energy: 0.883 local terms energy: -675.690341 where: bonds (distance) C4'-P energy: -122.086 bonds (distance) P-C4' energy: -127.081 flat angles C4'-P-C4' energy: -153.602 flat angles P-C4'-P energy: -96.198 tors. eta vs tors. theta energy: -176.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2131.717464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.717464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.717464 (E_RNA) where: Base-Base interactions energy: -1466.229 where: short stacking energy: -648.452 Base-Backbone interact. energy: -0.964 local terms energy: -664.524434 where: bonds (distance) C4'-P energy: -128.408 bonds (distance) P-C4' energy: -132.423 flat angles C4'-P-C4' energy: -165.889 flat angles P-C4'-P energy: -88.365 tors. eta vs tors. theta energy: -149.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -2000.328456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.328456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.328456 (E_RNA) where: Base-Base interactions energy: -1380.653 where: short stacking energy: -595.272 Base-Backbone interact. energy: 0.367 local terms energy: -620.042054 where: bonds (distance) C4'-P energy: -124.734 bonds (distance) P-C4' energy: -120.685 flat angles C4'-P-C4' energy: -140.682 flat angles P-C4'-P energy: -94.411 tors. eta vs tors. theta energy: -139.531 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: 5 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1738.683924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.683924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.683924 (E_RNA) where: Base-Base interactions energy: -1174.654 where: short stacking energy: -476.381 Base-Backbone interact. energy: -3.002 local terms energy: -561.026980 where: bonds (distance) C4'-P energy: -121.014 bonds (distance) P-C4' energy: -132.823 flat angles C4'-P-C4' energy: -132.268 flat angles P-C4'-P energy: -72.368 tors. eta vs tors. theta energy: -102.554 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: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1526.490337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.490337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.490337 (E_RNA) where: Base-Base interactions energy: -1023.417 where: short stacking energy: -448.807 Base-Backbone interact. energy: -2.607 local terms energy: -500.465777 where: bonds (distance) C4'-P energy: -122.791 bonds (distance) P-C4' energy: -129.069 flat angles C4'-P-C4' energy: -111.754 flat angles P-C4'-P energy: -82.391 tors. eta vs tors. theta energy: -54.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3062.648013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.648013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.648013 (E_RNA) where: Base-Base interactions energy: -2185.555 where: short stacking energy: -930.878 Base-Backbone interact. energy: 0.442 local terms energy: -877.535204 where: bonds (distance) C4'-P energy: -156.182 bonds (distance) P-C4' energy: -155.729 flat angles C4'-P-C4' energy: -176.914 flat angles P-C4'-P energy: -133.151 tors. eta vs tors. theta energy: -255.560 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: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -3006.787989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.787989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.787989 (E_RNA) where: Base-Base interactions energy: -2163.598 where: short stacking energy: -882.298 Base-Backbone interact. energy: -1.533 local terms energy: -841.657114 where: bonds (distance) C4'-P energy: -146.216 bonds (distance) P-C4' energy: -144.148 flat angles C4'-P-C4' energy: -191.675 flat angles P-C4'-P energy: -125.592 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: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2835.913027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.913027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.913027 (E_RNA) where: Base-Base interactions energy: -2019.262 where: short stacking energy: -840.907 Base-Backbone interact. energy: -1.339 local terms energy: -815.312242 where: bonds (distance) C4'-P energy: -153.667 bonds (distance) P-C4' energy: -161.412 flat angles C4'-P-C4' energy: -164.414 flat angles P-C4'-P energy: -111.611 tors. eta vs tors. theta energy: -224.208 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: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2725.521342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.521342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.521342 (E_RNA) where: Base-Base interactions energy: -1967.826 where: short stacking energy: -808.551 Base-Backbone interact. energy: -0.430 local terms energy: -757.265452 where: bonds (distance) C4'-P energy: -130.270 bonds (distance) P-C4' energy: -155.340 flat angles C4'-P-C4' energy: -164.624 flat angles P-C4'-P energy: -115.528 tors. eta vs tors. theta energy: -191.503 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: 297 Temperature: 1.100000 Total energy: -2535.018538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.018538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.018538 (E_RNA) where: Base-Base interactions energy: -1776.717 where: short stacking energy: -759.002 Base-Backbone interact. energy: 3.816 local terms energy: -762.117549 where: bonds (distance) C4'-P energy: -141.873 bonds (distance) P-C4' energy: -144.689 flat angles C4'-P-C4' energy: -174.425 flat angles P-C4'-P energy: -107.768 tors. eta vs tors. theta energy: -193.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2398.785402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.785402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.785402 (E_RNA) where: Base-Base interactions energy: -1688.704 where: short stacking energy: -738.938 Base-Backbone interact. energy: 1.396 local terms energy: -711.476887 where: bonds (distance) C4'-P energy: -127.390 bonds (distance) P-C4' energy: -138.123 flat angles C4'-P-C4' energy: -166.859 flat angles P-C4'-P energy: -98.875 tors. eta vs tors. theta energy: -180.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2169.571368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.571368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.571368 (E_RNA) where: Base-Base interactions energy: -1525.755 where: short stacking energy: -635.213 Base-Backbone interact. energy: 4.892 local terms energy: -648.707550 where: bonds (distance) C4'-P energy: -112.372 bonds (distance) P-C4' energy: -153.023 flat angles C4'-P-C4' energy: -148.563 flat angles P-C4'-P energy: -92.282 tors. eta vs tors. theta energy: -142.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1975.487687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.487687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.487687 (E_RNA) where: Base-Base interactions energy: -1377.534 where: short stacking energy: -589.900 Base-Backbone interact. energy: -1.105 local terms energy: -596.848910 where: bonds (distance) C4'-P energy: -104.205 bonds (distance) P-C4' energy: -137.151 flat angles C4'-P-C4' energy: -151.824 flat angles P-C4'-P energy: -80.374 tors. eta vs tors. theta energy: -123.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1808.106822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.106822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.106822 (E_RNA) where: Base-Base interactions energy: -1196.218 where: short stacking energy: -545.534 Base-Backbone interact. energy: 1.001 local terms energy: -612.889523 where: bonds (distance) C4'-P energy: -141.206 bonds (distance) P-C4' energy: -131.416 flat angles C4'-P-C4' energy: -138.796 flat angles P-C4'-P energy: -93.496 tors. eta vs tors. theta energy: -107.976 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: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1515.593508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.593508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.593508 (E_RNA) where: Base-Base interactions energy: -986.805 where: short stacking energy: -455.381 Base-Backbone interact. energy: -1.464 local terms energy: -527.324887 where: bonds (distance) C4'-P energy: -123.108 bonds (distance) P-C4' energy: -126.681 flat angles C4'-P-C4' energy: -134.148 flat angles P-C4'-P energy: -70.841 tors. eta vs tors. theta energy: -72.547 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: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3054.334243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.334243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.334243 (E_RNA) where: Base-Base interactions energy: -2149.629 where: short stacking energy: -913.683 Base-Backbone interact. energy: 0.862 local terms energy: -905.567525 where: bonds (distance) C4'-P energy: -153.176 bonds (distance) P-C4' energy: -168.752 flat angles C4'-P-C4' energy: -197.326 flat angles P-C4'-P energy: -135.039 tors. eta vs tors. theta energy: -251.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2981.964070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.964070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.964070 (E_RNA) where: Base-Base interactions energy: -2129.862 where: short stacking energy: -869.217 Base-Backbone interact. energy: -2.082 local terms energy: -850.019562 where: bonds (distance) C4'-P energy: -149.937 bonds (distance) P-C4' energy: -163.430 flat angles C4'-P-C4' energy: -173.014 flat angles P-C4'-P energy: -126.322 tors. eta vs tors. theta energy: -237.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2857.880976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.880976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.880976 (E_RNA) where: Base-Base interactions energy: -2040.808 where: short stacking energy: -871.485 Base-Backbone interact. energy: -4.903 local terms energy: -812.169896 where: bonds (distance) C4'-P energy: -145.499 bonds (distance) P-C4' energy: -151.541 flat angles C4'-P-C4' energy: -184.982 flat angles P-C4'-P energy: -101.300 tors. eta vs tors. theta energy: -228.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2656.242309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.242309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.242309 (E_RNA) where: Base-Base interactions energy: -1923.380 where: short stacking energy: -771.386 Base-Backbone interact. energy: -2.502 local terms energy: -730.360169 where: bonds (distance) C4'-P energy: -128.133 bonds (distance) P-C4' energy: -145.755 flat angles C4'-P-C4' energy: -167.055 flat angles P-C4'-P energy: -102.854 tors. eta vs tors. theta energy: -186.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2495.292897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.292897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.292897 (E_RNA) where: Base-Base interactions energy: -1742.456 where: short stacking energy: -736.594 Base-Backbone interact. energy: -3.230 local terms energy: -749.606834 where: bonds (distance) C4'-P energy: -140.440 bonds (distance) P-C4' energy: -152.890 flat angles C4'-P-C4' energy: -164.234 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -187.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2384.488158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.488158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.488158 (E_RNA) where: Base-Base interactions energy: -1687.199 where: short stacking energy: -702.918 Base-Backbone interact. energy: -5.437 local terms energy: -691.851671 where: bonds (distance) C4'-P energy: -131.037 bonds (distance) P-C4' energy: -136.600 flat angles C4'-P-C4' energy: -149.200 flat angles P-C4'-P energy: -91.936 tors. eta vs tors. theta energy: -183.080 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: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2163.959434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.959434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.959434 (E_RNA) where: Base-Base interactions energy: -1491.609 where: short stacking energy: -655.269 Base-Backbone interact. energy: -4.966 local terms energy: -667.384207 where: bonds (distance) C4'-P energy: -110.516 bonds (distance) P-C4' energy: -141.855 flat angles C4'-P-C4' energy: -155.707 flat angles P-C4'-P energy: -113.427 tors. eta vs tors. theta energy: -145.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1925.946090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.946090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.946090 (E_RNA) where: Base-Base interactions energy: -1331.294 where: short stacking energy: -576.740 Base-Backbone interact. energy: -0.553 local terms energy: -594.098219 where: bonds (distance) C4'-P energy: -129.845 bonds (distance) P-C4' energy: -110.664 flat angles C4'-P-C4' energy: -128.850 flat angles P-C4'-P energy: -99.572 tors. eta vs tors. theta energy: -125.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1778.323989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.323989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.323989 (E_RNA) where: Base-Base interactions energy: -1204.378 where: short stacking energy: -524.307 Base-Backbone interact. energy: -2.350 local terms energy: -571.595460 where: bonds (distance) C4'-P energy: -133.520 bonds (distance) P-C4' energy: -119.486 flat angles C4'-P-C4' energy: -146.586 flat angles P-C4'-P energy: -73.229 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: 6 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1471.714189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.714189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.714189 (E_RNA) where: Base-Base interactions energy: -938.824 where: short stacking energy: -426.811 Base-Backbone interact. energy: -2.723 local terms energy: -530.167044 where: bonds (distance) C4'-P energy: -111.668 bonds (distance) P-C4' energy: -137.651 flat angles C4'-P-C4' energy: -131.950 flat angles P-C4'-P energy: -82.551 tors. eta vs tors. theta energy: -66.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3070.524775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.524775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.524775 (E_RNA) where: Base-Base interactions energy: -2187.518 where: short stacking energy: -901.887 Base-Backbone interact. energy: -1.811 local terms energy: -881.195064 where: bonds (distance) C4'-P energy: -152.303 bonds (distance) P-C4' energy: -154.032 flat angles C4'-P-C4' energy: -180.815 flat angles P-C4'-P energy: -136.034 tors. eta vs tors. theta energy: -258.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2976.220281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.220281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.220281 (E_RNA) where: Base-Base interactions energy: -2114.302 where: short stacking energy: -872.249 Base-Backbone interact. energy: -7.780 local terms energy: -854.137397 where: bonds (distance) C4'-P energy: -160.474 bonds (distance) P-C4' energy: -158.089 flat angles C4'-P-C4' energy: -182.302 flat angles P-C4'-P energy: -115.880 tors. eta vs tors. theta energy: -237.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2855.936377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.936377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.936377 (E_RNA) where: Base-Base interactions energy: -2023.447 where: short stacking energy: -862.965 Base-Backbone interact. energy: -0.493 local terms energy: -831.996363 where: bonds (distance) C4'-P energy: -141.932 bonds (distance) P-C4' energy: -161.546 flat angles C4'-P-C4' energy: -177.565 flat angles P-C4'-P energy: -118.107 tors. eta vs tors. theta energy: -232.846 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: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2660.778653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.778653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.778653 (E_RNA) where: Base-Base interactions energy: -1931.496 where: short stacking energy: -790.531 Base-Backbone interact. energy: 1.872 local terms energy: -731.154073 where: bonds (distance) C4'-P energy: -148.951 bonds (distance) P-C4' energy: -128.106 flat angles C4'-P-C4' energy: -156.398 flat angles P-C4'-P energy: -96.412 tors. eta vs tors. theta energy: -201.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2504.586156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.586156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.586156 (E_RNA) where: Base-Base interactions energy: -1780.288 where: short stacking energy: -740.996 Base-Backbone interact. energy: -1.683 local terms energy: -722.615475 where: bonds (distance) C4'-P energy: -127.745 bonds (distance) P-C4' energy: -140.270 flat angles C4'-P-C4' energy: -151.963 flat angles P-C4'-P energy: -103.668 tors. eta vs tors. theta energy: -198.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2410.857289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.857289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.857289 (E_RNA) where: Base-Base interactions energy: -1731.516 where: short stacking energy: -723.123 Base-Backbone interact. energy: 0.292 local terms energy: -679.633386 where: bonds (distance) C4'-P energy: -127.159 bonds (distance) P-C4' energy: -132.693 flat angles C4'-P-C4' energy: -143.465 flat angles P-C4'-P energy: -99.231 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: 7, replica: 2 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2191.213260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.213260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.213260 (E_RNA) where: Base-Base interactions energy: -1539.355 where: short stacking energy: -646.719 Base-Backbone interact. energy: -0.354 local terms energy: -651.503506 where: bonds (distance) C4'-P energy: -110.170 bonds (distance) P-C4' energy: -136.958 flat angles C4'-P-C4' energy: -157.515 flat angles P-C4'-P energy: -87.137 tors. eta vs tors. theta energy: -159.723 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: 8, replica: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1910.536602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.536602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.536602 (E_RNA) where: Base-Base interactions energy: -1359.489 where: short stacking energy: -598.965 Base-Backbone interact. energy: 3.140 local terms energy: -554.187236 where: bonds (distance) C4'-P energy: -94.877 bonds (distance) P-C4' energy: -120.607 flat angles C4'-P-C4' energy: -139.900 flat angles P-C4'-P energy: -71.670 tors. eta vs tors. theta energy: -127.133 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: 9, replica: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1774.273188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.273188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.273188 (E_RNA) where: Base-Base interactions energy: -1178.591 where: short stacking energy: -509.782 Base-Backbone interact. energy: -3.244 local terms energy: -592.438120 where: bonds (distance) C4'-P energy: -137.186 bonds (distance) P-C4' energy: -125.190 flat angles C4'-P-C4' energy: -128.481 flat angles P-C4'-P energy: -85.304 tors. eta vs tors. theta energy: -116.278 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: 6 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1474.132549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.132549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.132549 (E_RNA) where: Base-Base interactions energy: -953.484 where: short stacking energy: -435.151 Base-Backbone interact. energy: 0.312 local terms energy: -520.960778 where: bonds (distance) C4'-P energy: -119.365 bonds (distance) P-C4' energy: -145.279 flat angles C4'-P-C4' energy: -126.670 flat angles P-C4'-P energy: -65.968 tors. eta vs tors. theta energy: -63.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3036.440937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.440937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.440937 (E_RNA) where: Base-Base interactions energy: -2171.865 where: short stacking energy: -913.344 Base-Backbone interact. energy: -2.472 local terms energy: -862.103348 where: bonds (distance) C4'-P energy: -147.755 bonds (distance) P-C4' energy: -149.567 flat angles C4'-P-C4' energy: -196.225 flat angles P-C4'-P energy: -120.816 tors. eta vs tors. theta energy: -247.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2987.085734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.085734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.085734 (E_RNA) where: Base-Base interactions energy: -2138.896 where: short stacking energy: -887.796 Base-Backbone interact. energy: -1.338 local terms energy: -846.851018 where: bonds (distance) C4'-P energy: -147.068 bonds (distance) P-C4' energy: -161.851 flat angles C4'-P-C4' energy: -186.880 flat angles P-C4'-P energy: -115.362 tors. eta vs tors. theta energy: -235.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2865.137553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.137553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.137553 (E_RNA) where: Base-Base interactions energy: -2039.833 where: short stacking energy: -834.160 Base-Backbone interact. energy: -4.861 local terms energy: -820.443358 where: bonds (distance) C4'-P energy: -128.030 bonds (distance) P-C4' energy: -161.581 flat angles C4'-P-C4' energy: -180.049 flat angles P-C4'-P energy: -123.903 tors. eta vs tors. theta energy: -226.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2705.236041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.236041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.236041 (E_RNA) where: Base-Base interactions energy: -1942.692 where: short stacking energy: -783.550 Base-Backbone interact. energy: -2.261 local terms energy: -760.282588 where: bonds (distance) C4'-P energy: -137.753 bonds (distance) P-C4' energy: -150.636 flat angles C4'-P-C4' energy: -165.985 flat angles P-C4'-P energy: -115.497 tors. eta vs tors. theta energy: -190.411 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: 300 Temperature: 1.100000 Total energy: -2537.831086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.831086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.831086 (E_RNA) where: Base-Base interactions energy: -1789.434 where: short stacking energy: -740.678 Base-Backbone interact. energy: -0.683 local terms energy: -747.714530 where: bonds (distance) C4'-P energy: -136.343 bonds (distance) P-C4' energy: -146.959 flat angles C4'-P-C4' energy: -157.526 flat angles P-C4'-P energy: -109.185 tors. eta vs tors. theta energy: -197.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2379.116928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.116928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.116928 (E_RNA) where: Base-Base interactions energy: -1680.295 where: short stacking energy: -698.335 Base-Backbone interact. energy: 1.590 local terms energy: -700.412187 where: bonds (distance) C4'-P energy: -131.657 bonds (distance) P-C4' energy: -142.427 flat angles C4'-P-C4' energy: -155.575 flat angles P-C4'-P energy: -99.999 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: 7, replica: 2 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2156.560212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.560212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.560212 (E_RNA) where: Base-Base interactions energy: -1509.770 where: short stacking energy: -633.969 Base-Backbone interact. energy: -5.967 local terms energy: -640.824031 where: bonds (distance) C4'-P energy: -125.545 bonds (distance) P-C4' energy: -137.937 flat angles C4'-P-C4' energy: -143.947 flat angles P-C4'-P energy: -94.542 tors. eta vs tors. theta energy: -138.852 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: 9 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1940.009882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.009882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.009882 (E_RNA) where: Base-Base interactions energy: -1346.269 where: short stacking energy: -584.332 Base-Backbone interact. energy: -0.292 local terms energy: -593.448793 where: bonds (distance) C4'-P energy: -125.950 bonds (distance) P-C4' energy: -139.469 flat angles C4'-P-C4' energy: -121.156 flat angles P-C4'-P energy: -86.482 tors. eta vs tors. theta energy: -120.392 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: 5 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1766.219935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.219935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.219935 (E_RNA) where: Base-Base interactions energy: -1174.552 where: short stacking energy: -535.720 Base-Backbone interact. energy: 3.249 local terms energy: -594.917555 where: bonds (distance) C4'-P energy: -128.683 bonds (distance) P-C4' energy: -135.468 flat angles C4'-P-C4' energy: -136.580 flat angles P-C4'-P energy: -91.645 tors. eta vs tors. theta energy: -102.542 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: 6 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1421.144657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.144657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.144657 (E_RNA) where: Base-Base interactions energy: -914.624 where: short stacking energy: -431.230 Base-Backbone interact. energy: 7.899 local terms energy: -514.419115 where: bonds (distance) C4'-P energy: -120.259 bonds (distance) P-C4' energy: -121.954 flat angles C4'-P-C4' energy: -129.027 flat angles P-C4'-P energy: -78.400 tors. eta vs tors. theta energy: -64.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3063.701238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.701238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.701238 (E_RNA) where: Base-Base interactions energy: -2183.472 where: short stacking energy: -918.779 Base-Backbone interact. energy: -3.825 local terms energy: -876.404088 where: bonds (distance) C4'-P energy: -148.673 bonds (distance) P-C4' energy: -167.552 flat angles C4'-P-C4' energy: -193.259 flat angles P-C4'-P energy: -123.604 tors. eta vs tors. theta energy: -243.317 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2998.696936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.696936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.696936 (E_RNA) where: Base-Base interactions energy: -2149.835 where: short stacking energy: -870.992 Base-Backbone interact. energy: -4.441 local terms energy: -844.420723 where: bonds (distance) C4'-P energy: -152.838 bonds (distance) P-C4' energy: -164.824 flat angles C4'-P-C4' energy: -182.991 flat angles P-C4'-P energy: -120.021 tors. eta vs tors. theta energy: -223.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2846.288762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.288762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.288762 (E_RNA) where: Base-Base interactions energy: -2032.189 where: short stacking energy: -828.702 Base-Backbone interact. energy: -5.027 local terms energy: -809.072657 where: bonds (distance) C4'-P energy: -143.042 bonds (distance) P-C4' energy: -144.647 flat angles C4'-P-C4' energy: -182.643 flat angles P-C4'-P energy: -123.202 tors. eta vs tors. theta energy: -215.538 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: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2729.425777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.425777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.425777 (E_RNA) where: Base-Base interactions energy: -1940.427 where: short stacking energy: -796.864 Base-Backbone interact. energy: -5.689 local terms energy: -783.310285 where: bonds (distance) C4'-P energy: -132.553 bonds (distance) P-C4' energy: -160.548 flat angles C4'-P-C4' energy: -180.963 flat angles P-C4'-P energy: -101.167 tors. eta vs tors. theta energy: -208.079 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: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2507.948693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.948693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.948693 (E_RNA) where: Base-Base interactions energy: -1776.217 where: short stacking energy: -737.299 Base-Backbone interact. energy: -1.053 local terms energy: -730.678650 where: bonds (distance) C4'-P energy: -137.663 bonds (distance) P-C4' energy: -148.718 flat angles C4'-P-C4' energy: -162.297 flat angles P-C4'-P energy: -91.272 tors. eta vs tors. theta energy: -190.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2376.490603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.490603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.490603 (E_RNA) where: Base-Base interactions energy: -1666.401 where: short stacking energy: -656.237 Base-Backbone interact. energy: 1.820 local terms energy: -711.910280 where: bonds (distance) C4'-P energy: -135.728 bonds (distance) P-C4' energy: -134.371 flat angles C4'-P-C4' energy: -166.329 flat angles P-C4'-P energy: -110.672 tors. eta vs tors. theta energy: -164.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2196.898447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.898447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.898447 (E_RNA) where: Base-Base interactions energy: -1545.481 where: short stacking energy: -625.336 Base-Backbone interact. energy: 1.359 local terms energy: -652.776724 where: bonds (distance) C4'-P energy: -126.509 bonds (distance) P-C4' energy: -137.700 flat angles C4'-P-C4' energy: -143.503 flat angles P-C4'-P energy: -91.682 tors. eta vs tors. theta energy: -153.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1888.619590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.619590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.619590 (E_RNA) where: Base-Base interactions energy: -1288.824 where: short stacking energy: -542.175 Base-Backbone interact. energy: 4.551 local terms energy: -604.347105 where: bonds (distance) C4'-P energy: -139.467 bonds (distance) P-C4' energy: -124.829 flat angles C4'-P-C4' energy: -139.345 flat angles P-C4'-P energy: -87.364 tors. eta vs tors. theta energy: -113.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1750.666740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.666740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.666740 (E_RNA) where: Base-Base interactions energy: -1174.180 where: short stacking energy: -524.033 Base-Backbone interact. energy: -0.268 local terms energy: -576.218347 where: bonds (distance) C4'-P energy: -114.731 bonds (distance) P-C4' energy: -132.243 flat angles C4'-P-C4' energy: -127.243 flat angles P-C4'-P energy: -82.266 tors. eta vs tors. theta energy: -119.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1405.827380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.827380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.827380 (E_RNA) where: Base-Base interactions energy: -912.300 where: short stacking energy: -408.345 Base-Backbone interact. energy: 5.362 local terms energy: -498.889291 where: bonds (distance) C4'-P energy: -117.674 bonds (distance) P-C4' energy: -110.135 flat angles C4'-P-C4' energy: -135.007 flat angles P-C4'-P energy: -78.276 tors. eta vs tors. theta energy: -57.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3099.699079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.699079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.699079 (E_RNA) where: Base-Base interactions energy: -2191.806 where: short stacking energy: -923.182 Base-Backbone interact. energy: -1.070 local terms energy: -906.823245 where: bonds (distance) C4'-P energy: -166.045 bonds (distance) P-C4' energy: -162.479 flat angles C4'-P-C4' energy: -198.548 flat angles P-C4'-P energy: -130.009 tors. eta vs tors. theta energy: -249.742 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: 2, replica: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2974.263662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.263662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.263662 (E_RNA) where: Base-Base interactions energy: -2158.576 where: short stacking energy: -862.018 Base-Backbone interact. energy: -2.997 local terms energy: -812.690940 where: bonds (distance) C4'-P energy: -141.804 bonds (distance) P-C4' energy: -149.042 flat angles C4'-P-C4' energy: -167.826 flat angles P-C4'-P energy: -117.188 tors. eta vs tors. theta energy: -236.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2825.872677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.872677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.872677 (E_RNA) where: Base-Base interactions energy: -2012.504 where: short stacking energy: -823.727 Base-Backbone interact. energy: -2.746 local terms energy: -810.622681 where: bonds (distance) C4'-P energy: -142.898 bonds (distance) P-C4' energy: -156.837 flat angles C4'-P-C4' energy: -170.960 flat angles P-C4'-P energy: -112.924 tors. eta vs tors. theta energy: -227.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2759.770757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.770757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.770757 (E_RNA) where: Base-Base interactions energy: -2006.281 where: short stacking energy: -814.362 Base-Backbone interact. energy: -7.203 local terms energy: -746.286051 where: bonds (distance) C4'-P energy: -121.165 bonds (distance) P-C4' energy: -134.465 flat angles C4'-P-C4' energy: -170.436 flat angles P-C4'-P energy: -109.276 tors. eta vs tors. theta energy: -210.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2549.897354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.897354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.897354 (E_RNA) where: Base-Base interactions energy: -1807.931 where: short stacking energy: -771.236 Base-Backbone interact. energy: -2.231 local terms energy: -739.735624 where: bonds (distance) C4'-P energy: -147.972 bonds (distance) P-C4' energy: -125.718 flat angles C4'-P-C4' energy: -167.552 flat angles P-C4'-P energy: -93.807 tors. eta vs tors. theta energy: -204.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2394.338362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.338362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.338362 (E_RNA) where: Base-Base interactions energy: -1693.803 where: short stacking energy: -726.740 Base-Backbone interact. energy: 4.399 local terms energy: -704.933934 where: bonds (distance) C4'-P energy: -128.807 bonds (distance) P-C4' energy: -146.793 flat angles C4'-P-C4' energy: -160.732 flat angles P-C4'-P energy: -96.191 tors. eta vs tors. theta energy: -172.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2189.474353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.474353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.474353 (E_RNA) where: Base-Base interactions energy: -1540.701 where: short stacking energy: -667.874 Base-Backbone interact. energy: 0.856 local terms energy: -649.628602 where: bonds (distance) C4'-P energy: -119.092 bonds (distance) P-C4' energy: -140.370 flat angles C4'-P-C4' energy: -158.409 flat angles P-C4'-P energy: -77.131 tors. eta vs tors. theta energy: -154.627 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: 302 Temperature: 1.250000 Total energy: -1995.187778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.187778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.187778 (E_RNA) where: Base-Base interactions energy: -1392.969 where: short stacking energy: -611.537 Base-Backbone interact. energy: -1.278 local terms energy: -600.941022 where: bonds (distance) C4'-P energy: -108.766 bonds (distance) P-C4' energy: -137.947 flat angles C4'-P-C4' energy: -155.817 flat angles P-C4'-P energy: -63.339 tors. eta vs tors. theta energy: -135.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1761.000392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.000392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.000392 (E_RNA) where: Base-Base interactions energy: -1200.426 where: short stacking energy: -503.321 Base-Backbone interact. energy: -1.480 local terms energy: -559.094940 where: bonds (distance) C4'-P energy: -115.121 bonds (distance) P-C4' energy: -135.130 flat angles C4'-P-C4' energy: -135.363 flat angles P-C4'-P energy: -81.321 tors. eta vs tors. theta energy: -92.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1405.640435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.640435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.640435 (E_RNA) where: Base-Base interactions energy: -885.576 where: short stacking energy: -414.294 Base-Backbone interact. energy: -1.888 local terms energy: -518.176076 where: bonds (distance) C4'-P energy: -127.881 bonds (distance) P-C4' energy: -130.232 flat angles C4'-P-C4' energy: -128.748 flat angles P-C4'-P energy: -76.218 tors. eta vs tors. theta energy: -55.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3057.566690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.566690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.566690 (E_RNA) where: Base-Base interactions energy: -2162.364 where: short stacking energy: -900.629 Base-Backbone interact. energy: -5.951 local terms energy: -889.250963 where: bonds (distance) C4'-P energy: -141.319 bonds (distance) P-C4' energy: -168.710 flat angles C4'-P-C4' energy: -191.668 flat angles P-C4'-P energy: -139.289 tors. eta vs tors. theta energy: -248.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2979.907007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.907007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.907007 (E_RNA) where: Base-Base interactions energy: -2157.079 where: short stacking energy: -881.610 Base-Backbone interact. energy: -5.042 local terms energy: -817.785992 where: bonds (distance) C4'-P energy: -132.893 bonds (distance) P-C4' energy: -155.966 flat angles C4'-P-C4' energy: -174.727 flat angles P-C4'-P energy: -121.065 tors. eta vs tors. theta energy: -233.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2864.240164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.240164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.240164 (E_RNA) where: Base-Base interactions energy: -2051.462 where: short stacking energy: -841.060 Base-Backbone interact. energy: -0.343 local terms energy: -812.435300 where: bonds (distance) C4'-P energy: -129.170 bonds (distance) P-C4' energy: -155.400 flat angles C4'-P-C4' energy: -181.320 flat angles P-C4'-P energy: -123.805 tors. eta vs tors. theta energy: -222.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2735.454361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.454361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.454361 (E_RNA) where: Base-Base interactions energy: -1956.100 where: short stacking energy: -771.215 Base-Backbone interact. energy: -0.570 local terms energy: -778.785032 where: bonds (distance) C4'-P energy: -135.100 bonds (distance) P-C4' energy: -160.154 flat angles C4'-P-C4' energy: -171.650 flat angles P-C4'-P energy: -118.789 tors. eta vs tors. theta energy: -193.091 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: 5, replica: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2601.360023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.360023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.360023 (E_RNA) where: Base-Base interactions energy: -1852.194 where: short stacking energy: -781.793 Base-Backbone interact. energy: -1.109 local terms energy: -748.057460 where: bonds (distance) C4'-P energy: -132.975 bonds (distance) P-C4' energy: -147.692 flat angles C4'-P-C4' energy: -168.458 flat angles P-C4'-P energy: -104.934 tors. eta vs tors. theta energy: -193.998 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: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2374.295443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.295443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.295443 (E_RNA) where: Base-Base interactions energy: -1681.705 where: short stacking energy: -690.467 Base-Backbone interact. energy: -1.949 local terms energy: -690.641837 where: bonds (distance) C4'-P energy: -118.550 bonds (distance) P-C4' energy: -134.662 flat angles C4'-P-C4' energy: -153.067 flat angles P-C4'-P energy: -103.524 tors. eta vs tors. theta energy: -180.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2213.488885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.488885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.488885 (E_RNA) where: Base-Base interactions energy: -1586.655 where: short stacking energy: -625.640 Base-Backbone interact. energy: 0.337 local terms energy: -627.170739 where: bonds (distance) C4'-P energy: -127.101 bonds (distance) P-C4' energy: -129.672 flat angles C4'-P-C4' energy: -143.415 flat angles P-C4'-P energy: -95.970 tors. eta vs tors. theta energy: -131.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1908.070773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.070773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.070773 (E_RNA) where: Base-Base interactions energy: -1337.021 where: short stacking energy: -536.243 Base-Backbone interact. energy: -0.245 local terms energy: -570.804402 where: bonds (distance) C4'-P energy: -126.513 bonds (distance) P-C4' energy: -108.029 flat angles C4'-P-C4' energy: -151.699 flat angles P-C4'-P energy: -81.892 tors. eta vs tors. theta energy: -102.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1636.928193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.928193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.928193 (E_RNA) where: Base-Base interactions energy: -1112.812 where: short stacking energy: -511.320 Base-Backbone interact. energy: -1.951 local terms energy: -522.164937 where: bonds (distance) C4'-P energy: -120.184 bonds (distance) P-C4' energy: -93.209 flat angles C4'-P-C4' energy: -129.043 flat angles P-C4'-P energy: -73.716 tors. eta vs tors. theta energy: -106.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1461.536519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.536519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.536519 (E_RNA) where: Base-Base interactions energy: -922.555 where: short stacking energy: -406.175 Base-Backbone interact. energy: -1.880 local terms energy: -537.101638 where: bonds (distance) C4'-P energy: -119.991 bonds (distance) P-C4' energy: -129.891 flat angles C4'-P-C4' energy: -128.552 flat angles P-C4'-P energy: -84.677 tors. eta vs tors. theta energy: -73.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3065.479150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.479150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.479150 (E_RNA) where: Base-Base interactions energy: -2176.162 where: short stacking energy: -911.110 Base-Backbone interact. energy: -1.782 local terms energy: -887.535929 where: bonds (distance) C4'-P energy: -159.564 bonds (distance) P-C4' energy: -171.461 flat angles C4'-P-C4' energy: -173.769 flat angles P-C4'-P energy: -127.050 tors. eta vs tors. theta energy: -255.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2997.213199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.213199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.213199 (E_RNA) where: Base-Base interactions energy: -2159.171 where: short stacking energy: -890.889 Base-Backbone interact. energy: -1.832 local terms energy: -836.210241 where: bonds (distance) C4'-P energy: -147.187 bonds (distance) P-C4' energy: -157.428 flat angles C4'-P-C4' energy: -183.471 flat angles P-C4'-P energy: -117.451 tors. eta vs tors. theta energy: -230.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2896.613085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.613085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.613085 (E_RNA) where: Base-Base interactions energy: -2058.716 where: short stacking energy: -839.907 Base-Backbone interact. energy: -5.180 local terms energy: -832.716918 where: bonds (distance) C4'-P energy: -142.548 bonds (distance) P-C4' energy: -167.782 flat angles C4'-P-C4' energy: -162.890 flat angles P-C4'-P energy: -128.137 tors. eta vs tors. theta energy: -231.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2754.575214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.575214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.575214 (E_RNA) where: Base-Base interactions energy: -1970.216 where: short stacking energy: -794.792 Base-Backbone interact. energy: 4.506 local terms energy: -788.865332 where: bonds (distance) C4'-P energy: -139.776 bonds (distance) P-C4' energy: -145.705 flat angles C4'-P-C4' energy: -180.585 flat angles P-C4'-P energy: -116.377 tors. eta vs tors. theta energy: -206.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2536.317516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.317516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.317516 (E_RNA) where: Base-Base interactions energy: -1771.172 where: short stacking energy: -763.079 Base-Backbone interact. energy: -1.544 local terms energy: -763.601428 where: bonds (distance) C4'-P energy: -154.109 bonds (distance) P-C4' energy: -145.223 flat angles C4'-P-C4' energy: -160.371 flat angles P-C4'-P energy: -107.963 tors. eta vs tors. theta energy: -195.936 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: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2380.346605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.346605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.346605 (E_RNA) where: Base-Base interactions energy: -1675.665 where: short stacking energy: -729.124 Base-Backbone interact. energy: -6.126 local terms energy: -698.555738 where: bonds (distance) C4'-P energy: -128.313 bonds (distance) P-C4' energy: -141.580 flat angles C4'-P-C4' energy: -164.372 flat angles P-C4'-P energy: -91.890 tors. eta vs tors. theta energy: -172.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2241.702348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.702348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.702348 (E_RNA) where: Base-Base interactions energy: -1608.733 where: short stacking energy: -650.991 Base-Backbone interact. energy: 1.346 local terms energy: -634.315757 where: bonds (distance) C4'-P energy: -136.024 bonds (distance) P-C4' energy: -132.817 flat angles C4'-P-C4' energy: -141.477 flat angles P-C4'-P energy: -95.077 tors. eta vs tors. theta energy: -128.920 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: 8, replica: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1949.639907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.639907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.639907 (E_RNA) where: Base-Base interactions energy: -1356.080 where: short stacking energy: -578.115 Base-Backbone interact. energy: -1.285 local terms energy: -592.274894 where: bonds (distance) C4'-P energy: -138.727 bonds (distance) P-C4' energy: -131.603 flat angles C4'-P-C4' energy: -142.928 flat angles P-C4'-P energy: -71.351 tors. eta vs tors. theta energy: -107.666 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: 5 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1663.056217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.056217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.056217 (E_RNA) where: Base-Base interactions energy: -1104.772 where: short stacking energy: -496.372 Base-Backbone interact. energy: -1.267 local terms energy: -557.017242 where: bonds (distance) C4'-P energy: -111.431 bonds (distance) P-C4' energy: -139.970 flat angles C4'-P-C4' energy: -125.126 flat angles P-C4'-P energy: -79.030 tors. eta vs tors. theta energy: -101.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1447.752861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.752861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.752861 (E_RNA) where: Base-Base interactions energy: -929.250 where: short stacking energy: -444.131 Base-Backbone interact. energy: -1.937 local terms energy: -516.565770 where: bonds (distance) C4'-P energy: -115.408 bonds (distance) P-C4' energy: -136.947 flat angles C4'-P-C4' energy: -112.312 flat angles P-C4'-P energy: -82.281 tors. eta vs tors. theta energy: -69.618 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: 1 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3043.474175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.474175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.474175 (E_RNA) where: Base-Base interactions energy: -2141.333 where: short stacking energy: -884.102 Base-Backbone interact. energy: -5.159 local terms energy: -896.981984 where: bonds (distance) C4'-P energy: -166.322 bonds (distance) P-C4' energy: -162.887 flat angles C4'-P-C4' energy: -188.590 flat angles P-C4'-P energy: -140.269 tors. eta vs tors. theta energy: -238.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2913.886204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.886204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.886204 (E_RNA) where: Base-Base interactions energy: -2063.199 where: short stacking energy: -878.428 Base-Backbone interact. energy: -1.778 local terms energy: -848.908498 where: bonds (distance) C4'-P energy: -168.060 bonds (distance) P-C4' energy: -148.569 flat angles C4'-P-C4' energy: -179.935 flat angles P-C4'-P energy: -126.720 tors. eta vs tors. theta energy: -225.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2919.784759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.784759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.784759 (E_RNA) where: Base-Base interactions energy: -2123.458 where: short stacking energy: -867.307 Base-Backbone interact. energy: 2.517 local terms energy: -798.843931 where: bonds (distance) C4'-P energy: -155.244 bonds (distance) P-C4' energy: -149.689 flat angles C4'-P-C4' energy: -173.443 flat angles P-C4'-P energy: -97.095 tors. eta vs tors. theta energy: -223.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2749.379035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.379035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.379035 (E_RNA) where: Base-Base interactions energy: -1958.761 where: short stacking energy: -808.677 Base-Backbone interact. energy: -4.247 local terms energy: -786.370892 where: bonds (distance) C4'-P energy: -138.276 bonds (distance) P-C4' energy: -156.410 flat angles C4'-P-C4' energy: -180.406 flat angles P-C4'-P energy: -108.388 tors. eta vs tors. theta energy: -202.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2554.261108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.261108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.261108 (E_RNA) where: Base-Base interactions energy: -1810.185 where: short stacking energy: -729.461 Base-Backbone interact. energy: 8.097 local terms energy: -752.173481 where: bonds (distance) C4'-P energy: -148.303 bonds (distance) P-C4' energy: -146.265 flat angles C4'-P-C4' energy: -171.670 flat angles P-C4'-P energy: -98.996 tors. eta vs tors. theta energy: -186.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2401.369988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.369988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.369988 (E_RNA) where: Base-Base interactions energy: -1696.989 where: short stacking energy: -725.505 Base-Backbone interact. energy: -0.603 local terms energy: -703.777714 where: bonds (distance) C4'-P energy: -140.471 bonds (distance) P-C4' energy: -127.106 flat angles C4'-P-C4' energy: -154.677 flat angles P-C4'-P energy: -102.036 tors. eta vs tors. theta energy: -179.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2230.311231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.311231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.311231 (E_RNA) where: Base-Base interactions energy: -1570.911 where: short stacking energy: -655.170 Base-Backbone interact. energy: 0.554 local terms energy: -659.954195 where: bonds (distance) C4'-P energy: -132.085 bonds (distance) P-C4' energy: -140.896 flat angles C4'-P-C4' energy: -160.032 flat angles P-C4'-P energy: -87.350 tors. eta vs tors. theta energy: -139.590 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: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1924.494553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.494553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.494553 (E_RNA) where: Base-Base interactions energy: -1313.158 where: short stacking energy: -554.414 Base-Backbone interact. energy: 3.447 local terms energy: -614.782635 where: bonds (distance) C4'-P energy: -140.151 bonds (distance) P-C4' energy: -126.845 flat angles C4'-P-C4' energy: -145.436 flat angles P-C4'-P energy: -95.491 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: 9, replica: 5 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1714.757001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.757001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.757001 (E_RNA) where: Base-Base interactions energy: -1160.095 where: short stacking energy: -497.148 Base-Backbone interact. energy: 1.682 local terms energy: -556.343925 where: bonds (distance) C4'-P energy: -122.855 bonds (distance) P-C4' energy: -126.393 flat angles C4'-P-C4' energy: -131.825 flat angles P-C4'-P energy: -82.156 tors. eta vs tors. theta energy: -93.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1521.358523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.358523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.358523 (E_RNA) where: Base-Base interactions energy: -954.077 where: short stacking energy: -451.154 Base-Backbone interact. energy: -2.420 local terms energy: -564.860756 where: bonds (distance) C4'-P energy: -120.111 bonds (distance) P-C4' energy: -136.923 flat angles C4'-P-C4' energy: -134.445 flat angles P-C4'-P energy: -79.877 tors. eta vs tors. theta energy: -93.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3060.663606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.663606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.663606 (E_RNA) where: Base-Base interactions energy: -2179.799 where: short stacking energy: -902.816 Base-Backbone interact. energy: -4.963 local terms energy: -875.901303 where: bonds (distance) C4'-P energy: -162.164 bonds (distance) P-C4' energy: -159.461 flat angles C4'-P-C4' energy: -187.084 flat angles P-C4'-P energy: -112.884 tors. eta vs tors. theta energy: -254.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2906.326455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.326455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.326455 (E_RNA) where: Base-Base interactions energy: -2055.535 where: short stacking energy: -854.476 Base-Backbone interact. energy: -4.473 local terms energy: -846.318999 where: bonds (distance) C4'-P energy: -160.917 bonds (distance) P-C4' energy: -165.499 flat angles C4'-P-C4' energy: -186.299 flat angles P-C4'-P energy: -108.842 tors. eta vs tors. theta energy: -224.763 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: 7 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2920.503067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.503067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.503067 (E_RNA) where: Base-Base interactions energy: -2119.389 where: short stacking energy: -858.797 Base-Backbone interact. energy: -4.367 local terms energy: -796.746764 where: bonds (distance) C4'-P energy: -145.379 bonds (distance) P-C4' energy: -143.523 flat angles C4'-P-C4' energy: -178.267 flat angles P-C4'-P energy: -110.866 tors. eta vs tors. theta energy: -218.713 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: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2746.905205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.905205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.905205 (E_RNA) where: Base-Base interactions energy: -1978.595 where: short stacking energy: -830.309 Base-Backbone interact. energy: -0.366 local terms energy: -767.944356 where: bonds (distance) C4'-P energy: -120.937 bonds (distance) P-C4' energy: -153.977 flat angles C4'-P-C4' energy: -169.757 flat angles P-C4'-P energy: -112.697 tors. eta vs tors. theta energy: -210.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2501.420456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.420456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.420456 (E_RNA) where: Base-Base interactions energy: -1775.210 where: short stacking energy: -724.475 Base-Backbone interact. energy: -1.288 local terms energy: -724.922210 where: bonds (distance) C4'-P energy: -144.314 bonds (distance) P-C4' energy: -135.187 flat angles C4'-P-C4' energy: -185.570 flat angles P-C4'-P energy: -87.726 tors. eta vs tors. theta energy: -172.125 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: 4 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2433.828032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.828032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.828032 (E_RNA) where: Base-Base interactions energy: -1701.824 where: short stacking energy: -711.822 Base-Backbone interact. energy: 9.272 local terms energy: -741.276667 where: bonds (distance) C4'-P energy: -139.122 bonds (distance) P-C4' energy: -140.475 flat angles C4'-P-C4' energy: -171.673 flat angles P-C4'-P energy: -117.055 tors. eta vs tors. theta energy: -172.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2199.733054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.733054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.733054 (E_RNA) where: Base-Base interactions energy: -1539.708 where: short stacking energy: -633.474 Base-Backbone interact. energy: -0.160 local terms energy: -659.865144 where: bonds (distance) C4'-P energy: -138.918 bonds (distance) P-C4' energy: -137.320 flat angles C4'-P-C4' energy: -141.648 flat angles P-C4'-P energy: -101.530 tors. eta vs tors. theta energy: -140.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1946.642796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.642796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.642796 (E_RNA) where: Base-Base interactions energy: -1336.044 where: short stacking energy: -575.911 Base-Backbone interact. energy: 2.200 local terms energy: -612.799022 where: bonds (distance) C4'-P energy: -130.758 bonds (distance) P-C4' energy: -127.039 flat angles C4'-P-C4' energy: -139.894 flat angles P-C4'-P energy: -89.167 tors. eta vs tors. theta energy: -125.942 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: 9, replica: 5 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1756.121380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.121380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.121380 (E_RNA) where: Base-Base interactions energy: -1163.979 where: short stacking energy: -514.129 Base-Backbone interact. energy: 3.304 local terms energy: -595.446251 where: bonds (distance) C4'-P energy: -115.630 bonds (distance) P-C4' energy: -146.015 flat angles C4'-P-C4' energy: -125.369 flat angles P-C4'-P energy: -92.726 tors. eta vs tors. theta energy: -115.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1440.615483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.615483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.615483 (E_RNA) where: Base-Base interactions energy: -935.129 where: short stacking energy: -424.802 Base-Backbone interact. energy: -2.900 local terms energy: -502.586286 where: bonds (distance) C4'-P energy: -142.170 bonds (distance) P-C4' energy: -119.107 flat angles C4'-P-C4' energy: -112.241 flat angles P-C4'-P energy: -81.524 tors. eta vs tors. theta energy: -47.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3076.957388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.957388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.957388 (E_RNA) where: Base-Base interactions energy: -2172.375 where: short stacking energy: -913.448 Base-Backbone interact. energy: -4.210 local terms energy: -900.372727 where: bonds (distance) C4'-P energy: -161.715 bonds (distance) P-C4' energy: -158.572 flat angles C4'-P-C4' energy: -201.558 flat angles P-C4'-P energy: -122.924 tors. eta vs tors. theta energy: -255.603 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: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2970.795037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.795037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.795037 (E_RNA) where: Base-Base interactions energy: -2141.294 where: short stacking energy: -885.959 Base-Backbone interact. energy: -4.666 local terms energy: -824.835435 where: bonds (distance) C4'-P energy: -152.312 bonds (distance) P-C4' energy: -136.280 flat angles C4'-P-C4' energy: -179.407 flat angles P-C4'-P energy: -126.505 tors. eta vs tors. theta energy: -230.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2864.364031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.364031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.364031 (E_RNA) where: Base-Base interactions energy: -2050.961 where: short stacking energy: -846.681 Base-Backbone interact. energy: -3.139 local terms energy: -810.263868 where: bonds (distance) C4'-P energy: -140.378 bonds (distance) P-C4' energy: -156.574 flat angles C4'-P-C4' energy: -177.114 flat angles P-C4'-P energy: -107.854 tors. eta vs tors. theta energy: -228.344 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: 307 Temperature: 1.050000 Total energy: -2783.650517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.650517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.650517 (E_RNA) where: Base-Base interactions energy: -1985.904 where: short stacking energy: -829.740 Base-Backbone interact. energy: -3.733 local terms energy: -794.014202 where: bonds (distance) C4'-P energy: -145.628 bonds (distance) P-C4' energy: -148.127 flat angles C4'-P-C4' energy: -176.170 flat angles P-C4'-P energy: -106.859 tors. eta vs tors. theta energy: -217.230 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: 5, replica: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2511.857499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.857499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.857499 (E_RNA) where: Base-Base interactions energy: -1772.008 where: short stacking energy: -749.135 Base-Backbone interact. energy: 0.266 local terms energy: -740.115285 where: bonds (distance) C4'-P energy: -143.228 bonds (distance) P-C4' energy: -141.710 flat angles C4'-P-C4' energy: -159.271 flat angles P-C4'-P energy: -116.156 tors. eta vs tors. theta energy: -179.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2392.443533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.443533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.443533 (E_RNA) where: Base-Base interactions energy: -1703.801 where: short stacking energy: -698.862 Base-Backbone interact. energy: -0.376 local terms energy: -688.266859 where: bonds (distance) C4'-P energy: -130.920 bonds (distance) P-C4' energy: -155.088 flat angles C4'-P-C4' energy: -154.750 flat angles P-C4'-P energy: -96.088 tors. eta vs tors. theta energy: -151.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2200.680952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.680952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.680952 (E_RNA) where: Base-Base interactions energy: -1577.717 where: short stacking energy: -640.176 Base-Backbone interact. energy: -2.586 local terms energy: -620.378392 where: bonds (distance) C4'-P energy: -120.193 bonds (distance) P-C4' energy: -123.686 flat angles C4'-P-C4' energy: -141.508 flat angles P-C4'-P energy: -92.105 tors. eta vs tors. theta energy: -142.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1946.317382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.317382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.317382 (E_RNA) where: Base-Base interactions energy: -1317.504 where: short stacking energy: -568.742 Base-Backbone interact. energy: 1.093 local terms energy: -629.906439 where: bonds (distance) C4'-P energy: -138.847 bonds (distance) P-C4' energy: -132.249 flat angles C4'-P-C4' energy: -134.624 flat angles P-C4'-P energy: -99.886 tors. eta vs tors. theta energy: -124.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1762.780424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.780424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.780424 (E_RNA) where: Base-Base interactions energy: -1179.359 where: short stacking energy: -541.042 Base-Backbone interact. energy: 0.444 local terms energy: -583.866119 where: bonds (distance) C4'-P energy: -109.368 bonds (distance) P-C4' energy: -127.485 flat angles C4'-P-C4' energy: -152.260 flat angles P-C4'-P energy: -92.213 tors. eta vs tors. theta energy: -102.541 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: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1440.211970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.211970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.211970 (E_RNA) where: Base-Base interactions energy: -957.181 where: short stacking energy: -435.582 Base-Backbone interact. energy: 0.273 local terms energy: -483.303842 where: bonds (distance) C4'-P energy: -112.554 bonds (distance) P-C4' energy: -123.437 flat angles C4'-P-C4' energy: -102.595 flat angles P-C4'-P energy: -74.154 tors. eta vs tors. theta energy: -70.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3046.315480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.315480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.315480 (E_RNA) where: Base-Base interactions energy: -2200.847 where: short stacking energy: -903.051 Base-Backbone interact. energy: -1.835 local terms energy: -843.633164 where: bonds (distance) C4'-P energy: -142.041 bonds (distance) P-C4' energy: -158.798 flat angles C4'-P-C4' energy: -180.328 flat angles P-C4'-P energy: -118.647 tors. eta vs tors. theta energy: -243.819 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: 308 Temperature: 0.950000 Total energy: -3032.594854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.594854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.594854 (E_RNA) where: Base-Base interactions energy: -2140.383 where: short stacking energy: -905.409 Base-Backbone interact. energy: -2.673 local terms energy: -889.539440 where: bonds (distance) C4'-P energy: -168.619 bonds (distance) P-C4' energy: -157.196 flat angles C4'-P-C4' energy: -192.237 flat angles P-C4'-P energy: -117.547 tors. eta vs tors. theta energy: -253.941 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: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2836.795875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.795875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.795875 (E_RNA) where: Base-Base interactions energy: -2011.980 where: short stacking energy: -833.839 Base-Backbone interact. energy: -4.175 local terms energy: -820.641035 where: bonds (distance) C4'-P energy: -155.797 bonds (distance) P-C4' energy: -163.285 flat angles C4'-P-C4' energy: -176.950 flat angles P-C4'-P energy: -102.813 tors. eta vs tors. theta energy: -221.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2770.084001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.084001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.084001 (E_RNA) where: Base-Base interactions energy: -1979.722 where: short stacking energy: -825.673 Base-Backbone interact. energy: -2.458 local terms energy: -787.904172 where: bonds (distance) C4'-P energy: -150.050 bonds (distance) P-C4' energy: -143.758 flat angles C4'-P-C4' energy: -157.382 flat angles P-C4'-P energy: -121.637 tors. eta vs tors. theta energy: -215.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2556.299603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.299603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.299603 (E_RNA) where: Base-Base interactions energy: -1822.208 where: short stacking energy: -753.638 Base-Backbone interact. energy: 7.438 local terms energy: -741.529850 where: bonds (distance) C4'-P energy: -136.918 bonds (distance) P-C4' energy: -154.604 flat angles C4'-P-C4' energy: -167.712 flat angles P-C4'-P energy: -94.323 tors. eta vs tors. theta energy: -187.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2455.134177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.134177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.134177 (E_RNA) where: Base-Base interactions energy: -1734.988 where: short stacking energy: -733.122 Base-Backbone interact. energy: -4.658 local terms energy: -715.488282 where: bonds (distance) C4'-P energy: -132.723 bonds (distance) P-C4' energy: -144.352 flat angles C4'-P-C4' energy: -154.586 flat angles P-C4'-P energy: -114.113 tors. eta vs tors. theta energy: -169.715 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: 2 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2256.677497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.677497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.677497 (E_RNA) where: Base-Base interactions energy: -1602.862 where: short stacking energy: -643.321 Base-Backbone interact. energy: 0.960 local terms energy: -654.775365 where: bonds (distance) C4'-P energy: -139.492 bonds (distance) P-C4' energy: -145.451 flat angles C4'-P-C4' energy: -146.150 flat angles P-C4'-P energy: -73.038 tors. eta vs tors. theta energy: -150.644 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: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1867.636852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.636852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.636852 (E_RNA) where: Base-Base interactions energy: -1276.078 where: short stacking energy: -563.994 Base-Backbone interact. energy: -1.124 local terms energy: -590.434739 where: bonds (distance) C4'-P energy: -128.181 bonds (distance) P-C4' energy: -124.269 flat angles C4'-P-C4' energy: -136.205 flat angles P-C4'-P energy: -66.565 tors. eta vs tors. theta energy: -135.215 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: 5 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1677.979968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.979968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.979968 (E_RNA) where: Base-Base interactions energy: -1089.684 where: short stacking energy: -491.373 Base-Backbone interact. energy: 4.602 local terms energy: -592.898181 where: bonds (distance) C4'-P energy: -128.008 bonds (distance) P-C4' energy: -133.598 flat angles C4'-P-C4' energy: -148.522 flat angles P-C4'-P energy: -97.735 tors. eta vs tors. theta energy: -85.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1453.004289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.004289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.004289 (E_RNA) where: Base-Base interactions energy: -930.892 where: short stacking energy: -398.786 Base-Backbone interact. energy: -2.705 local terms energy: -519.407360 where: bonds (distance) C4'-P energy: -134.307 bonds (distance) P-C4' energy: -140.109 flat angles C4'-P-C4' energy: -132.756 flat angles P-C4'-P energy: -69.686 tors. eta vs tors. theta energy: -42.549 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: 1, replica: 7 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3043.342154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.342154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.342154 (E_RNA) where: Base-Base interactions energy: -2170.817 where: short stacking energy: -878.169 Base-Backbone interact. energy: -2.690 local terms energy: -869.834446 where: bonds (distance) C4'-P energy: -152.723 bonds (distance) P-C4' energy: -164.082 flat angles C4'-P-C4' energy: -177.937 flat angles P-C4'-P energy: -132.840 tors. eta vs tors. theta energy: -242.252 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: 309 Temperature: 0.950000 Total energy: -3023.740110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.740110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.740110 (E_RNA) where: Base-Base interactions energy: -2151.358 where: short stacking energy: -899.232 Base-Backbone interact. energy: -2.366 local terms energy: -870.016011 where: bonds (distance) C4'-P energy: -155.524 bonds (distance) P-C4' energy: -166.399 flat angles C4'-P-C4' energy: -175.210 flat angles P-C4'-P energy: -124.951 tors. eta vs tors. theta energy: -247.932 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: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2808.168001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.168001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.168001 (E_RNA) where: Base-Base interactions energy: -1993.527 where: short stacking energy: -817.588 Base-Backbone interact. energy: -4.895 local terms energy: -809.746105 where: bonds (distance) C4'-P energy: -158.900 bonds (distance) P-C4' energy: -150.404 flat angles C4'-P-C4' energy: -178.041 flat angles P-C4'-P energy: -107.010 tors. eta vs tors. theta energy: -215.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2764.175386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.175386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.175386 (E_RNA) where: Base-Base interactions energy: -1989.532 where: short stacking energy: -834.085 Base-Backbone interact. energy: -7.525 local terms energy: -767.118118 where: bonds (distance) C4'-P energy: -124.607 bonds (distance) P-C4' energy: -145.858 flat angles C4'-P-C4' energy: -179.611 flat angles P-C4'-P energy: -105.738 tors. eta vs tors. theta energy: -211.304 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: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2549.313022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.313022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.313022 (E_RNA) where: Base-Base interactions energy: -1819.375 where: short stacking energy: -772.133 Base-Backbone interact. energy: -1.860 local terms energy: -728.077043 where: bonds (distance) C4'-P energy: -151.599 bonds (distance) P-C4' energy: -128.599 flat angles C4'-P-C4' energy: -160.240 flat angles P-C4'-P energy: -106.234 tors. eta vs tors. theta energy: -181.405 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: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2444.915962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.915962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.915962 (E_RNA) where: Base-Base interactions energy: -1738.074 where: short stacking energy: -723.814 Base-Backbone interact. energy: 2.777 local terms energy: -709.618204 where: bonds (distance) C4'-P energy: -129.051 bonds (distance) P-C4' energy: -130.939 flat angles C4'-P-C4' energy: -166.846 flat angles P-C4'-P energy: -101.154 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: 2 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2238.189467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.189467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.189467 (E_RNA) where: Base-Base interactions energy: -1559.183 where: short stacking energy: -644.222 Base-Backbone interact. energy: -5.140 local terms energy: -673.867340 where: bonds (distance) C4'-P energy: -132.589 bonds (distance) P-C4' energy: -134.218 flat angles C4'-P-C4' energy: -162.799 flat angles P-C4'-P energy: -100.179 tors. eta vs tors. theta energy: -144.083 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: 8, replica: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1906.966309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.966309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.966309 (E_RNA) where: Base-Base interactions energy: -1308.789 where: short stacking energy: -557.356 Base-Backbone interact. energy: 5.656 local terms energy: -603.834010 where: bonds (distance) C4'-P energy: -113.318 bonds (distance) P-C4' energy: -136.955 flat angles C4'-P-C4' energy: -145.633 flat angles P-C4'-P energy: -89.756 tors. eta vs tors. theta energy: -118.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1664.541785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.541785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.541785 (E_RNA) where: Base-Base interactions energy: -1117.131 where: short stacking energy: -516.117 Base-Backbone interact. energy: -0.053 local terms energy: -547.357711 where: bonds (distance) C4'-P energy: -122.758 bonds (distance) P-C4' energy: -112.800 flat angles C4'-P-C4' energy: -139.412 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -96.980 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: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1453.952719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.952719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.952719 (E_RNA) where: Base-Base interactions energy: -934.509 where: short stacking energy: -451.551 Base-Backbone interact. energy: 0.396 local terms energy: -519.840268 where: bonds (distance) C4'-P energy: -116.459 bonds (distance) P-C4' energy: -125.018 flat angles C4'-P-C4' energy: -128.753 flat angles P-C4'-P energy: -79.284 tors. eta vs tors. theta energy: -70.326 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: 7 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3078.408010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.408010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.408010 (E_RNA) where: Base-Base interactions energy: -2206.264 where: short stacking energy: -921.021 Base-Backbone interact. energy: -3.210 local terms energy: -868.934066 where: bonds (distance) C4'-P energy: -157.284 bonds (distance) P-C4' energy: -169.392 flat angles C4'-P-C4' energy: -180.712 flat angles P-C4'-P energy: -125.139 tors. eta vs tors. theta energy: -236.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -3001.733229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.733229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.733229 (E_RNA) where: Base-Base interactions energy: -2134.580 where: short stacking energy: -904.225 Base-Backbone interact. energy: 0.935 local terms energy: -868.088231 where: bonds (distance) C4'-P energy: -154.537 bonds (distance) P-C4' energy: -157.102 flat angles C4'-P-C4' energy: -184.189 flat angles P-C4'-P energy: -117.464 tors. eta vs tors. theta energy: -254.796 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: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2797.186459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.186459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.186459 (E_RNA) where: Base-Base interactions energy: -1995.570 where: short stacking energy: -822.979 Base-Backbone interact. energy: -1.266 local terms energy: -800.350464 where: bonds (distance) C4'-P energy: -144.534 bonds (distance) P-C4' energy: -146.140 flat angles C4'-P-C4' energy: -159.447 flat angles P-C4'-P energy: -134.291 tors. eta vs tors. theta energy: -215.938 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: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2757.828046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.828046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.828046 (E_RNA) where: Base-Base interactions energy: -1963.579 where: short stacking energy: -778.110 Base-Backbone interact. energy: -4.350 local terms energy: -789.899127 where: bonds (distance) C4'-P energy: -150.018 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -178.187 flat angles P-C4'-P energy: -128.591 tors. eta vs tors. theta energy: -194.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2575.410649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.410649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.410649 (E_RNA) where: Base-Base interactions energy: -1851.991 where: short stacking energy: -795.734 Base-Backbone interact. energy: 6.576 local terms energy: -729.995159 where: bonds (distance) C4'-P energy: -118.641 bonds (distance) P-C4' energy: -157.444 flat angles C4'-P-C4' energy: -166.079 flat angles P-C4'-P energy: -85.762 tors. eta vs tors. theta energy: -202.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2436.592171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.592171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.592171 (E_RNA) where: Base-Base interactions energy: -1727.695 where: short stacking energy: -733.351 Base-Backbone interact. energy: -2.202 local terms energy: -706.695084 where: bonds (distance) C4'-P energy: -127.068 bonds (distance) P-C4' energy: -142.718 flat angles C4'-P-C4' energy: -167.218 flat angles P-C4'-P energy: -93.106 tors. eta vs tors. theta energy: -176.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2226.217726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.217726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.217726 (E_RNA) where: Base-Base interactions energy: -1562.734 where: short stacking energy: -638.944 Base-Backbone interact. energy: 1.472 local terms energy: -664.956448 where: bonds (distance) C4'-P energy: -132.819 bonds (distance) P-C4' energy: -141.024 flat angles C4'-P-C4' energy: -149.959 flat angles P-C4'-P energy: -86.454 tors. eta vs tors. theta energy: -154.701 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: 310 Temperature: 1.250000 Total energy: -1978.125199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.125199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.125199 (E_RNA) where: Base-Base interactions energy: -1349.140 where: short stacking energy: -589.880 Base-Backbone interact. energy: -1.268 local terms energy: -627.717898 where: bonds (distance) C4'-P energy: -119.778 bonds (distance) P-C4' energy: -150.987 flat angles C4'-P-C4' energy: -142.116 flat angles P-C4'-P energy: -84.347 tors. eta vs tors. theta energy: -130.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1662.209399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.209399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.209399 (E_RNA) where: Base-Base interactions energy: -1100.355 where: short stacking energy: -510.106 Base-Backbone interact. energy: -1.081 local terms energy: -560.773691 where: bonds (distance) C4'-P energy: -116.323 bonds (distance) P-C4' energy: -130.956 flat angles C4'-P-C4' energy: -133.614 flat angles P-C4'-P energy: -90.056 tors. eta vs tors. theta energy: -89.824 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: 6 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1532.576610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.576610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.576610 (E_RNA) where: Base-Base interactions energy: -991.980 where: short stacking energy: -462.900 Base-Backbone interact. energy: -3.740 local terms energy: -536.856287 where: bonds (distance) C4'-P energy: -119.333 bonds (distance) P-C4' energy: -153.721 flat angles C4'-P-C4' energy: -111.352 flat angles P-C4'-P energy: -74.878 tors. eta vs tors. theta energy: -77.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3066.047129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.047129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.047129 (E_RNA) where: Base-Base interactions energy: -2192.799 where: short stacking energy: -913.579 Base-Backbone interact. energy: -1.738 local terms energy: -871.509796 where: bonds (distance) C4'-P energy: -163.313 bonds (distance) P-C4' energy: -156.055 flat angles C4'-P-C4' energy: -184.490 flat angles P-C4'-P energy: -127.211 tors. eta vs tors. theta energy: -240.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -3016.441609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.441609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.441609 (E_RNA) where: Base-Base interactions energy: -2146.261 where: short stacking energy: -921.832 Base-Backbone interact. energy: -2.530 local terms energy: -867.650010 where: bonds (distance) C4'-P energy: -147.890 bonds (distance) P-C4' energy: -153.273 flat angles C4'-P-C4' energy: -182.866 flat angles P-C4'-P energy: -127.817 tors. eta vs tors. theta energy: -255.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2831.716970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.716970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.716970 (E_RNA) where: Base-Base interactions energy: -2011.343 where: short stacking energy: -831.851 Base-Backbone interact. energy: -1.878 local terms energy: -818.496456 where: bonds (distance) C4'-P energy: -134.721 bonds (distance) P-C4' energy: -152.610 flat angles C4'-P-C4' energy: -179.914 flat angles P-C4'-P energy: -123.510 tors. eta vs tors. theta energy: -227.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2763.307887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.307887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.307887 (E_RNA) where: Base-Base interactions energy: -1978.822 where: short stacking energy: -828.671 Base-Backbone interact. energy: -3.678 local terms energy: -780.808283 where: bonds (distance) C4'-P energy: -136.760 bonds (distance) P-C4' energy: -132.566 flat angles C4'-P-C4' energy: -175.255 flat angles P-C4'-P energy: -120.185 tors. eta vs tors. theta energy: -216.041 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: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2552.881943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.881943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.881943 (E_RNA) where: Base-Base interactions energy: -1808.751 where: short stacking energy: -774.939 Base-Backbone interact. energy: 0.279 local terms energy: -744.410312 where: bonds (distance) C4'-P energy: -127.796 bonds (distance) P-C4' energy: -144.168 flat angles C4'-P-C4' energy: -173.656 flat angles P-C4'-P energy: -99.613 tors. eta vs tors. theta energy: -199.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2438.102915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.102915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.102915 (E_RNA) where: Base-Base interactions energy: -1710.171 where: short stacking energy: -733.755 Base-Backbone interact. energy: 0.755 local terms energy: -728.687062 where: bonds (distance) C4'-P energy: -129.622 bonds (distance) P-C4' energy: -138.375 flat angles C4'-P-C4' energy: -168.858 flat angles P-C4'-P energy: -110.248 tors. eta vs tors. theta energy: -181.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2235.751352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.751352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.751352 (E_RNA) where: Base-Base interactions energy: -1590.510 where: short stacking energy: -640.740 Base-Backbone interact. energy: -2.250 local terms energy: -642.991225 where: bonds (distance) C4'-P energy: -114.618 bonds (distance) P-C4' energy: -140.317 flat angles C4'-P-C4' energy: -152.673 flat angles P-C4'-P energy: -88.865 tors. eta vs tors. theta energy: -146.518 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: 311 Temperature: 1.250000 Total energy: -1952.224999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.224999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.224999 (E_RNA) where: Base-Base interactions energy: -1316.970 where: short stacking energy: -612.512 Base-Backbone interact. energy: 4.471 local terms energy: -639.726216 where: bonds (distance) C4'-P energy: -135.323 bonds (distance) P-C4' energy: -145.299 flat angles C4'-P-C4' energy: -129.282 flat angles P-C4'-P energy: -88.951 tors. eta vs tors. theta energy: -140.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1657.911980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.911980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.911980 (E_RNA) where: Base-Base interactions energy: -1092.443 where: short stacking energy: -496.474 Base-Backbone interact. energy: 1.435 local terms energy: -566.904635 where: bonds (distance) C4'-P energy: -152.261 bonds (distance) P-C4' energy: -102.759 flat angles C4'-P-C4' energy: -126.902 flat angles P-C4'-P energy: -80.114 tors. eta vs tors. theta energy: -104.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1534.582383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.582383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.582383 (E_RNA) where: Base-Base interactions energy: -1007.935 where: short stacking energy: -478.323 Base-Backbone interact. energy: 10.997 local terms energy: -537.644769 where: bonds (distance) C4'-P energy: -115.069 bonds (distance) P-C4' energy: -142.136 flat angles C4'-P-C4' energy: -131.313 flat angles P-C4'-P energy: -71.677 tors. eta vs tors. theta energy: -77.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3086.673244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.673244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.673244 (E_RNA) where: Base-Base interactions energy: -2216.576 where: short stacking energy: -919.121 Base-Backbone interact. energy: -2.731 local terms energy: -867.366048 where: bonds (distance) C4'-P energy: -166.740 bonds (distance) P-C4' energy: -157.023 flat angles C4'-P-C4' energy: -178.741 flat angles P-C4'-P energy: -122.307 tors. eta vs tors. theta energy: -242.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2982.678489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.678489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.678489 (E_RNA) where: Base-Base interactions energy: -2107.900 where: short stacking energy: -899.497 Base-Backbone interact. energy: -2.912 local terms energy: -871.866321 where: bonds (distance) C4'-P energy: -144.002 bonds (distance) P-C4' energy: -151.222 flat angles C4'-P-C4' energy: -182.818 flat angles P-C4'-P energy: -133.931 tors. eta vs tors. theta energy: -259.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2821.397135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.397135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.397135 (E_RNA) where: Base-Base interactions energy: -2031.459 where: short stacking energy: -842.586 Base-Backbone interact. energy: 1.689 local terms energy: -791.627239 where: bonds (distance) C4'-P energy: -137.858 bonds (distance) P-C4' energy: -153.408 flat angles C4'-P-C4' energy: -176.370 flat angles P-C4'-P energy: -107.468 tors. eta vs tors. theta energy: -216.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2729.416479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.416479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.416479 (E_RNA) where: Base-Base interactions energy: -1953.266 where: short stacking energy: -817.879 Base-Backbone interact. energy: 0.463 local terms energy: -776.613281 where: bonds (distance) C4'-P energy: -126.592 bonds (distance) P-C4' energy: -146.330 flat angles C4'-P-C4' energy: -171.326 flat angles P-C4'-P energy: -122.853 tors. eta vs tors. theta energy: -209.514 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: 5, replica: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2621.446671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.446671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.446671 (E_RNA) where: Base-Base interactions energy: -1907.699 where: short stacking energy: -792.833 Base-Backbone interact. energy: 2.276 local terms energy: -716.024202 where: bonds (distance) C4'-P energy: -130.342 bonds (distance) P-C4' energy: -131.313 flat angles C4'-P-C4' energy: -158.024 flat angles P-C4'-P energy: -99.087 tors. eta vs tors. theta energy: -197.258 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: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2440.859505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.859505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.859505 (E_RNA) where: Base-Base interactions energy: -1713.854 where: short stacking energy: -714.850 Base-Backbone interact. energy: -1.523 local terms energy: -725.482196 where: bonds (distance) C4'-P energy: -152.680 bonds (distance) P-C4' energy: -138.160 flat angles C4'-P-C4' energy: -146.344 flat angles P-C4'-P energy: -85.473 tors. eta vs tors. theta energy: -202.826 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: 2 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2292.870019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.870019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.870019 (E_RNA) where: Base-Base interactions energy: -1593.544 where: short stacking energy: -672.270 Base-Backbone interact. energy: -1.829 local terms energy: -697.497330 where: bonds (distance) C4'-P energy: -106.931 bonds (distance) P-C4' energy: -152.015 flat angles C4'-P-C4' energy: -157.891 flat angles P-C4'-P energy: -109.112 tors. eta vs tors. theta energy: -171.549 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: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1950.784916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.784916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.784916 (E_RNA) where: Base-Base interactions energy: -1334.373 where: short stacking energy: -589.138 Base-Backbone interact. energy: 3.412 local terms energy: -619.824591 where: bonds (distance) C4'-P energy: -129.751 bonds (distance) P-C4' energy: -133.771 flat angles C4'-P-C4' energy: -133.372 flat angles P-C4'-P energy: -93.114 tors. eta vs tors. theta energy: -129.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1730.729744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.729744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.729744 (E_RNA) where: Base-Base interactions energy: -1199.956 where: short stacking energy: -542.998 Base-Backbone interact. energy: 2.940 local terms energy: -533.714393 where: bonds (distance) C4'-P energy: -117.213 bonds (distance) P-C4' energy: -111.276 flat angles C4'-P-C4' energy: -127.349 flat angles P-C4'-P energy: -75.753 tors. eta vs tors. theta energy: -102.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1465.592746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.592746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.592746 (E_RNA) where: Base-Base interactions energy: -940.531 where: short stacking energy: -419.677 Base-Backbone interact. energy: -0.398 local terms energy: -524.662958 where: bonds (distance) C4'-P energy: -101.584 bonds (distance) P-C4' energy: -133.109 flat angles C4'-P-C4' energy: -137.913 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -57.954 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: 7 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3070.123451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.123451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.123451 (E_RNA) where: Base-Base interactions energy: -2196.831 where: short stacking energy: -900.872 Base-Backbone interact. energy: -3.191 local terms energy: -870.101251 where: bonds (distance) C4'-P energy: -161.503 bonds (distance) P-C4' energy: -163.547 flat angles C4'-P-C4' energy: -189.156 flat angles P-C4'-P energy: -122.295 tors. eta vs tors. theta energy: -233.600 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: 313 Temperature: 0.950000 Total energy: -3040.889925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.889925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.889925 (E_RNA) where: Base-Base interactions energy: -2162.176 where: short stacking energy: -931.741 Base-Backbone interact. energy: 3.184 local terms energy: -881.897972 where: bonds (distance) C4'-P energy: -146.072 bonds (distance) P-C4' energy: -158.788 flat angles C4'-P-C4' energy: -187.181 flat angles P-C4'-P energy: -122.836 tors. eta vs tors. theta energy: -267.020 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: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2817.247765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.247765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.247765 (E_RNA) where: Base-Base interactions energy: -2022.491 where: short stacking energy: -823.955 Base-Backbone interact. energy: -2.571 local terms energy: -792.185447 where: bonds (distance) C4'-P energy: -149.877 bonds (distance) P-C4' energy: -144.522 flat angles C4'-P-C4' energy: -173.245 flat angles P-C4'-P energy: -117.437 tors. eta vs tors. theta energy: -207.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2746.656789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.656789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.656789 (E_RNA) where: Base-Base interactions energy: -1968.102 where: short stacking energy: -830.938 Base-Backbone interact. energy: -3.734 local terms energy: -774.820703 where: bonds (distance) C4'-P energy: -118.284 bonds (distance) P-C4' energy: -149.257 flat angles C4'-P-C4' energy: -177.072 flat angles P-C4'-P energy: -116.728 tors. eta vs tors. theta energy: -213.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2573.138415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.138415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.138415 (E_RNA) where: Base-Base interactions energy: -1835.604 where: short stacking energy: -747.859 Base-Backbone interact. energy: -3.483 local terms energy: -734.052083 where: bonds (distance) C4'-P energy: -125.132 bonds (distance) P-C4' energy: -140.472 flat angles C4'-P-C4' energy: -176.517 flat angles P-C4'-P energy: -107.454 tors. eta vs tors. theta energy: -184.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2435.661052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.661052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.661052 (E_RNA) where: Base-Base interactions energy: -1727.499 where: short stacking energy: -753.451 Base-Backbone interact. energy: -4.281 local terms energy: -703.880830 where: bonds (distance) C4'-P energy: -108.462 bonds (distance) P-C4' energy: -161.317 flat angles C4'-P-C4' energy: -145.572 flat angles P-C4'-P energy: -92.500 tors. eta vs tors. theta energy: -196.029 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: 2 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2205.198514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.198514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.198514 (E_RNA) where: Base-Base interactions energy: -1531.759 where: short stacking energy: -648.497 Base-Backbone interact. energy: 1.968 local terms energy: -675.407580 where: bonds (distance) C4'-P energy: -133.111 bonds (distance) P-C4' energy: -122.167 flat angles C4'-P-C4' energy: -153.992 flat angles P-C4'-P energy: -103.689 tors. eta vs tors. theta energy: -162.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1954.691232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.691232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.691232 (E_RNA) where: Base-Base interactions energy: -1365.860 where: short stacking energy: -596.917 Base-Backbone interact. energy: -1.902 local terms energy: -586.929823 where: bonds (distance) C4'-P energy: -124.325 bonds (distance) P-C4' energy: -128.853 flat angles C4'-P-C4' energy: -129.406 flat angles P-C4'-P energy: -65.994 tors. eta vs tors. theta energy: -138.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1696.208045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.208045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.208045 (E_RNA) where: Base-Base interactions energy: -1116.340 where: short stacking energy: -484.902 Base-Backbone interact. energy: 3.532 local terms energy: -583.400260 where: bonds (distance) C4'-P energy: -131.423 bonds (distance) P-C4' energy: -141.159 flat angles C4'-P-C4' energy: -142.494 flat angles P-C4'-P energy: -91.512 tors. eta vs tors. theta energy: -76.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1497.673291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.673291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.673291 (E_RNA) where: Base-Base interactions energy: -975.055 where: short stacking energy: -448.850 Base-Backbone interact. energy: -1.156 local terms energy: -521.462091 where: bonds (distance) C4'-P energy: -121.945 bonds (distance) P-C4' energy: -128.839 flat angles C4'-P-C4' energy: -122.356 flat angles P-C4'-P energy: -68.873 tors. eta vs tors. theta energy: -79.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3053.061135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.061135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.061135 (E_RNA) where: Base-Base interactions energy: -2208.742 where: short stacking energy: -918.683 Base-Backbone interact. energy: -3.513 local terms energy: -840.806237 where: bonds (distance) C4'-P energy: -158.432 bonds (distance) P-C4' energy: -158.036 flat angles C4'-P-C4' energy: -183.217 flat angles P-C4'-P energy: -113.344 tors. eta vs tors. theta energy: -227.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -3022.727234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.727234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.727234 (E_RNA) where: Base-Base interactions energy: -2146.429 where: short stacking energy: -913.689 Base-Backbone interact. energy: -4.484 local terms energy: -871.814565 where: bonds (distance) C4'-P energy: -146.022 bonds (distance) P-C4' energy: -163.536 flat angles C4'-P-C4' energy: -180.148 flat angles P-C4'-P energy: -116.445 tors. eta vs tors. theta energy: -265.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2788.208508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.208508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.208508 (E_RNA) where: Base-Base interactions energy: -2002.630 where: short stacking energy: -809.878 Base-Backbone interact. energy: -3.501 local terms energy: -782.077337 where: bonds (distance) C4'-P energy: -149.109 bonds (distance) P-C4' energy: -151.117 flat angles C4'-P-C4' energy: -164.801 flat angles P-C4'-P energy: -116.425 tors. eta vs tors. theta energy: -200.626 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: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2727.810443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.810443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.810443 (E_RNA) where: Base-Base interactions energy: -1961.254 where: short stacking energy: -835.982 Base-Backbone interact. energy: -5.805 local terms energy: -760.751050 where: bonds (distance) C4'-P energy: -132.721 bonds (distance) P-C4' energy: -142.195 flat angles C4'-P-C4' energy: -162.518 flat angles P-C4'-P energy: -107.618 tors. eta vs tors. theta energy: -215.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2508.307947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.307947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.307947 (E_RNA) where: Base-Base interactions energy: -1784.805 where: short stacking energy: -767.793 Base-Backbone interact. energy: -2.317 local terms energy: -721.186639 where: bonds (distance) C4'-P energy: -119.486 bonds (distance) P-C4' energy: -146.075 flat angles C4'-P-C4' energy: -153.601 flat angles P-C4'-P energy: -103.941 tors. eta vs tors. theta energy: -198.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2509.934383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.934383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.934383 (E_RNA) where: Base-Base interactions energy: -1805.689 where: short stacking energy: -737.526 Base-Backbone interact. energy: 2.040 local terms energy: -706.285688 where: bonds (distance) C4'-P energy: -121.700 bonds (distance) P-C4' energy: -138.092 flat angles C4'-P-C4' energy: -151.582 flat angles P-C4'-P energy: -102.664 tors. eta vs tors. theta energy: -192.247 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: 7, replica: 2 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2223.363024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.363024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.363024 (E_RNA) where: Base-Base interactions energy: -1583.834 where: short stacking energy: -676.741 Base-Backbone interact. energy: -0.295 local terms energy: -639.234233 where: bonds (distance) C4'-P energy: -134.010 bonds (distance) P-C4' energy: -132.135 flat angles C4'-P-C4' energy: -140.744 flat angles P-C4'-P energy: -74.639 tors. eta vs tors. theta energy: -157.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1971.642227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.642227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.642227 (E_RNA) where: Base-Base interactions energy: -1371.009 where: short stacking energy: -576.727 Base-Backbone interact. energy: -4.043 local terms energy: -596.590547 where: bonds (distance) C4'-P energy: -110.498 bonds (distance) P-C4' energy: -125.542 flat angles C4'-P-C4' energy: -135.783 flat angles P-C4'-P energy: -79.965 tors. eta vs tors. theta energy: -144.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1716.541093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.541093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.541093 (E_RNA) where: Base-Base interactions energy: -1128.293 where: short stacking energy: -498.652 Base-Backbone interact. energy: 5.249 local terms energy: -593.496776 where: bonds (distance) C4'-P energy: -132.022 bonds (distance) P-C4' energy: -152.043 flat angles C4'-P-C4' energy: -130.621 flat angles P-C4'-P energy: -77.385 tors. eta vs tors. theta energy: -101.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1394.367809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.367809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.367809 (E_RNA) where: Base-Base interactions energy: -853.309 where: short stacking energy: -418.659 Base-Backbone interact. energy: -4.807 local terms energy: -536.252481 where: bonds (distance) C4'-P energy: -131.302 bonds (distance) P-C4' energy: -129.697 flat angles C4'-P-C4' energy: -118.144 flat angles P-C4'-P energy: -97.173 tors. eta vs tors. theta energy: -59.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3047.616208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.616208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.616208 (E_RNA) where: Base-Base interactions energy: -2196.757 where: short stacking energy: -891.219 Base-Backbone interact. energy: -6.730 local terms energy: -844.128703 where: bonds (distance) C4'-P energy: -151.017 bonds (distance) P-C4' energy: -157.648 flat angles C4'-P-C4' energy: -180.533 flat angles P-C4'-P energy: -112.888 tors. eta vs tors. theta energy: -242.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -3008.973836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.973836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.973836 (E_RNA) where: Base-Base interactions energy: -2109.390 where: short stacking energy: -886.108 Base-Backbone interact. energy: -4.978 local terms energy: -894.606007 where: bonds (distance) C4'-P energy: -162.214 bonds (distance) P-C4' energy: -159.607 flat angles C4'-P-C4' energy: -195.955 flat angles P-C4'-P energy: -123.149 tors. eta vs tors. theta energy: -253.681 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: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2823.208867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.208867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.208867 (E_RNA) where: Base-Base interactions energy: -2013.467 where: short stacking energy: -841.981 Base-Backbone interact. energy: 1.584 local terms energy: -811.325745 where: bonds (distance) C4'-P energy: -158.799 bonds (distance) P-C4' energy: -144.500 flat angles C4'-P-C4' energy: -170.448 flat angles P-C4'-P energy: -114.606 tors. eta vs tors. theta energy: -222.972 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: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2757.004519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.004519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.004519 (E_RNA) where: Base-Base interactions energy: -1961.968 where: short stacking energy: -805.617 Base-Backbone interact. energy: -1.803 local terms energy: -793.232708 where: bonds (distance) C4'-P energy: -152.223 bonds (distance) P-C4' energy: -160.356 flat angles C4'-P-C4' energy: -161.139 flat angles P-C4'-P energy: -101.674 tors. eta vs tors. theta energy: -217.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2548.048113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.048113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.048113 (E_RNA) where: Base-Base interactions energy: -1784.024 where: short stacking energy: -766.606 Base-Backbone interact. energy: -3.997 local terms energy: -760.027148 where: bonds (distance) C4'-P energy: -146.786 bonds (distance) P-C4' energy: -134.777 flat angles C4'-P-C4' energy: -168.182 flat angles P-C4'-P energy: -105.124 tors. eta vs tors. theta energy: -205.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2477.803625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.803625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.803625 (E_RNA) where: Base-Base interactions energy: -1750.277 where: short stacking energy: -729.219 Base-Backbone interact. energy: -1.673 local terms energy: -725.854146 where: bonds (distance) C4'-P energy: -143.488 bonds (distance) P-C4' energy: -145.806 flat angles C4'-P-C4' energy: -157.210 flat angles P-C4'-P energy: -85.332 tors. eta vs tors. theta energy: -194.018 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: 7, replica: 2 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2223.689125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.689125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.689125 (E_RNA) where: Base-Base interactions energy: -1554.884 where: short stacking energy: -656.274 Base-Backbone interact. energy: -2.227 local terms energy: -666.577863 where: bonds (distance) C4'-P energy: -132.249 bonds (distance) P-C4' energy: -132.237 flat angles C4'-P-C4' energy: -142.565 flat angles P-C4'-P energy: -112.450 tors. eta vs tors. theta energy: -147.076 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: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -2026.825183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.825183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.825183 (E_RNA) where: Base-Base interactions energy: -1405.762 where: short stacking energy: -584.642 Base-Backbone interact. energy: -4.235 local terms energy: -616.828635 where: bonds (distance) C4'-P energy: -135.046 bonds (distance) P-C4' energy: -126.239 flat angles C4'-P-C4' energy: -138.971 flat angles P-C4'-P energy: -87.306 tors. eta vs tors. theta energy: -129.266 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: 9, replica: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1683.549531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.549531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.549531 (E_RNA) where: Base-Base interactions energy: -1150.649 where: short stacking energy: -519.640 Base-Backbone interact. energy: -3.415 local terms energy: -529.485798 where: bonds (distance) C4'-P energy: -133.928 bonds (distance) P-C4' energy: -119.285 flat angles C4'-P-C4' energy: -124.411 flat angles P-C4'-P energy: -65.236 tors. eta vs tors. theta energy: -86.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1451.584713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.584713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.584713 (E_RNA) where: Base-Base interactions energy: -891.243 where: short stacking energy: -425.604 Base-Backbone interact. energy: -2.608 local terms energy: -557.733234 where: bonds (distance) C4'-P energy: -133.169 bonds (distance) P-C4' energy: -142.866 flat angles C4'-P-C4' energy: -122.320 flat angles P-C4'-P energy: -74.063 tors. eta vs tors. theta energy: -85.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3068.546905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.546905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.546905 (E_RNA) where: Base-Base interactions energy: -2240.972 where: short stacking energy: -909.719 Base-Backbone interact. energy: -0.661 local terms energy: -826.913657 where: bonds (distance) C4'-P energy: -149.647 bonds (distance) P-C4' energy: -149.379 flat angles C4'-P-C4' energy: -185.267 flat angles P-C4'-P energy: -108.991 tors. eta vs tors. theta energy: -233.628 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: 316 Temperature: 0.950000 Total energy: -2995.429116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.429116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.429116 (E_RNA) where: Base-Base interactions energy: -2136.246 where: short stacking energy: -906.028 Base-Backbone interact. energy: -3.517 local terms energy: -855.665501 where: bonds (distance) C4'-P energy: -145.841 bonds (distance) P-C4' energy: -148.611 flat angles C4'-P-C4' energy: -181.255 flat angles P-C4'-P energy: -125.520 tors. eta vs tors. theta energy: -254.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2829.853198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.853198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.853198 (E_RNA) where: Base-Base interactions energy: -2001.180 where: short stacking energy: -849.081 Base-Backbone interact. energy: -0.945 local terms energy: -827.728234 where: bonds (distance) C4'-P energy: -147.366 bonds (distance) P-C4' energy: -158.654 flat angles C4'-P-C4' energy: -178.219 flat angles P-C4'-P energy: -118.311 tors. eta vs tors. theta energy: -225.178 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: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2713.424910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.424910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.424910 (E_RNA) where: Base-Base interactions energy: -1938.399 where: short stacking energy: -823.064 Base-Backbone interact. energy: -3.275 local terms energy: -771.750912 where: bonds (distance) C4'-P energy: -131.096 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -164.468 flat angles P-C4'-P energy: -110.221 tors. eta vs tors. theta energy: -219.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2515.605888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.605888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.605888 (E_RNA) where: Base-Base interactions energy: -1799.763 where: short stacking energy: -758.369 Base-Backbone interact. energy: -0.726 local terms energy: -715.116941 where: bonds (distance) C4'-P energy: -131.174 bonds (distance) P-C4' energy: -128.333 flat angles C4'-P-C4' energy: -177.525 flat angles P-C4'-P energy: -102.053 tors. eta vs tors. theta energy: -176.032 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: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2409.023724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.023724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.023724 (E_RNA) where: Base-Base interactions energy: -1718.120 where: short stacking energy: -711.839 Base-Backbone interact. energy: 4.653 local terms energy: -695.556506 where: bonds (distance) C4'-P energy: -109.775 bonds (distance) P-C4' energy: -141.559 flat angles C4'-P-C4' energy: -150.054 flat angles P-C4'-P energy: -111.065 tors. eta vs tors. theta energy: -183.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2252.749668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.749668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.749668 (E_RNA) where: Base-Base interactions energy: -1586.762 where: short stacking energy: -648.975 Base-Backbone interact. energy: -3.868 local terms energy: -662.119223 where: bonds (distance) C4'-P energy: -126.231 bonds (distance) P-C4' energy: -143.165 flat angles C4'-P-C4' energy: -156.691 flat angles P-C4'-P energy: -85.642 tors. eta vs tors. theta energy: -150.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -2079.305242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.305242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.305242 (E_RNA) where: Base-Base interactions energy: -1413.787 where: short stacking energy: -608.486 Base-Backbone interact. energy: -4.780 local terms energy: -660.737775 where: bonds (distance) C4'-P energy: -143.734 bonds (distance) P-C4' energy: -137.346 flat angles C4'-P-C4' energy: -149.281 flat angles P-C4'-P energy: -91.980 tors. eta vs tors. theta energy: -138.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1705.769361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.769361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.769361 (E_RNA) where: Base-Base interactions energy: -1162.546 where: short stacking energy: -488.992 Base-Backbone interact. energy: 5.704 local terms energy: -548.927421 where: bonds (distance) C4'-P energy: -115.312 bonds (distance) P-C4' energy: -123.265 flat angles C4'-P-C4' energy: -139.324 flat angles P-C4'-P energy: -80.199 tors. eta vs tors. theta energy: -90.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1344.318663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.318663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.318663 (E_RNA) where: Base-Base interactions energy: -901.287 where: short stacking energy: -428.669 Base-Backbone interact. energy: -0.901 local terms energy: -442.131198 where: bonds (distance) C4'-P energy: -110.075 bonds (distance) P-C4' energy: -111.189 flat angles C4'-P-C4' energy: -107.173 flat angles P-C4'-P energy: -59.629 tors. eta vs tors. theta energy: -54.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3093.754811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.754811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.754811 (E_RNA) where: Base-Base interactions energy: -2218.570 where: short stacking energy: -914.810 Base-Backbone interact. energy: -1.621 local terms energy: -873.564226 where: bonds (distance) C4'-P energy: -159.017 bonds (distance) P-C4' energy: -166.477 flat angles C4'-P-C4' energy: -178.675 flat angles P-C4'-P energy: -130.747 tors. eta vs tors. theta energy: -238.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -3034.906147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.906147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.906147 (E_RNA) where: Base-Base interactions energy: -2161.189 where: short stacking energy: -935.308 Base-Backbone interact. energy: -0.558 local terms energy: -873.158819 where: bonds (distance) C4'-P energy: -140.778 bonds (distance) P-C4' energy: -156.314 flat angles C4'-P-C4' energy: -176.599 flat angles P-C4'-P energy: -128.550 tors. eta vs tors. theta energy: -270.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2811.538199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.538199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.538199 (E_RNA) where: Base-Base interactions energy: -1985.009 where: short stacking energy: -814.604 Base-Backbone interact. energy: -2.158 local terms energy: -824.371419 where: bonds (distance) C4'-P energy: -141.608 bonds (distance) P-C4' energy: -165.740 flat angles C4'-P-C4' energy: -169.457 flat angles P-C4'-P energy: -112.956 tors. eta vs tors. theta energy: -234.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2729.472009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.472009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.472009 (E_RNA) where: Base-Base interactions energy: -1939.366 where: short stacking energy: -809.659 Base-Backbone interact. energy: 1.387 local terms energy: -791.492917 where: bonds (distance) C4'-P energy: -153.210 bonds (distance) P-C4' energy: -158.143 flat angles C4'-P-C4' energy: -170.703 flat angles P-C4'-P energy: -100.537 tors. eta vs tors. theta energy: -208.899 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: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2534.371726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.371726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.371726 (E_RNA) where: Base-Base interactions energy: -1807.204 where: short stacking energy: -748.399 Base-Backbone interact. energy: 0.827 local terms energy: -727.994550 where: bonds (distance) C4'-P energy: -132.092 bonds (distance) P-C4' energy: -128.080 flat angles C4'-P-C4' energy: -174.493 flat angles P-C4'-P energy: -100.493 tors. eta vs tors. theta energy: -192.836 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: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2435.603030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.603030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.603030 (E_RNA) where: Base-Base interactions energy: -1732.642 where: short stacking energy: -734.823 Base-Backbone interact. energy: 2.094 local terms energy: -705.055805 where: bonds (distance) C4'-P energy: -143.147 bonds (distance) P-C4' energy: -127.261 flat angles C4'-P-C4' energy: -161.051 flat angles P-C4'-P energy: -94.791 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: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2234.094850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.094850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.094850 (E_RNA) where: Base-Base interactions energy: -1577.193 where: short stacking energy: -654.440 Base-Backbone interact. energy: -5.113 local terms energy: -651.788608 where: bonds (distance) C4'-P energy: -162.408 bonds (distance) P-C4' energy: -99.520 flat angles C4'-P-C4' energy: -149.000 flat angles P-C4'-P energy: -86.255 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: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -2066.612096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.612096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.612096 (E_RNA) where: Base-Base interactions energy: -1423.359 where: short stacking energy: -625.263 Base-Backbone interact. energy: 2.110 local terms energy: -645.362895 where: bonds (distance) C4'-P energy: -139.853 bonds (distance) P-C4' energy: -124.045 flat angles C4'-P-C4' energy: -144.713 flat angles P-C4'-P energy: -103.290 tors. eta vs tors. theta energy: -133.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1755.859420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.859420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.859420 (E_RNA) where: Base-Base interactions energy: -1202.572 where: short stacking energy: -547.050 Base-Backbone interact. energy: -3.550 local terms energy: -549.737409 where: bonds (distance) C4'-P energy: -111.454 bonds (distance) P-C4' energy: -114.731 flat angles C4'-P-C4' energy: -128.401 flat angles P-C4'-P energy: -92.458 tors. eta vs tors. theta energy: -102.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1438.132714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.132714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.132714 (E_RNA) where: Base-Base interactions energy: -970.964 where: short stacking energy: -428.178 Base-Backbone interact. energy: -2.411 local terms energy: -464.758008 where: bonds (distance) C4'-P energy: -120.930 bonds (distance) P-C4' energy: -121.093 flat angles C4'-P-C4' energy: -109.038 flat angles P-C4'-P energy: -50.082 tors. eta vs tors. theta energy: -63.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3062.531786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.531786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.531786 (E_RNA) where: Base-Base interactions energy: -2212.505 where: short stacking energy: -896.664 Base-Backbone interact. energy: 1.680 local terms energy: -851.706987 where: bonds (distance) C4'-P energy: -148.167 bonds (distance) P-C4' energy: -163.833 flat angles C4'-P-C4' energy: -188.032 flat angles P-C4'-P energy: -111.572 tors. eta vs tors. theta energy: -240.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -3016.732005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.732005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.732005 (E_RNA) where: Base-Base interactions energy: -2165.016 where: short stacking energy: -913.125 Base-Backbone interact. energy: -0.277 local terms energy: -851.438447 where: bonds (distance) C4'-P energy: -133.667 bonds (distance) P-C4' energy: -149.099 flat angles C4'-P-C4' energy: -183.586 flat angles P-C4'-P energy: -123.889 tors. eta vs tors. theta energy: -261.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2864.000313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.000313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.000313 (E_RNA) where: Base-Base interactions energy: -2019.010 where: short stacking energy: -853.914 Base-Backbone interact. energy: -0.455 local terms energy: -844.534720 where: bonds (distance) C4'-P energy: -141.605 bonds (distance) P-C4' energy: -171.281 flat angles C4'-P-C4' energy: -179.448 flat angles P-C4'-P energy: -123.104 tors. eta vs tors. theta energy: -229.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2829.877094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.877094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.877094 (E_RNA) where: Base-Base interactions energy: -2040.504 where: short stacking energy: -862.663 Base-Backbone interact. energy: -1.875 local terms energy: -787.497234 where: bonds (distance) C4'-P energy: -136.166 bonds (distance) P-C4' energy: -157.287 flat angles C4'-P-C4' energy: -166.073 flat angles P-C4'-P energy: -114.113 tors. eta vs tors. theta energy: -213.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2573.386690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.386690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.386690 (E_RNA) where: Base-Base interactions energy: -1813.325 where: short stacking energy: -754.697 Base-Backbone interact. energy: -3.448 local terms energy: -756.613310 where: bonds (distance) C4'-P energy: -138.595 bonds (distance) P-C4' energy: -143.874 flat angles C4'-P-C4' energy: -177.666 flat angles P-C4'-P energy: -115.036 tors. eta vs tors. theta energy: -181.442 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: 4 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2406.341665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.341665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.341665 (E_RNA) where: Base-Base interactions energy: -1693.514 where: short stacking energy: -713.127 Base-Backbone interact. energy: -2.468 local terms energy: -710.359870 where: bonds (distance) C4'-P energy: -126.744 bonds (distance) P-C4' energy: -148.768 flat angles C4'-P-C4' energy: -166.785 flat angles P-C4'-P energy: -85.590 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: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2283.260689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.260689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.260689 (E_RNA) where: Base-Base interactions energy: -1638.142 where: short stacking energy: -684.341 Base-Backbone interact. energy: -5.545 local terms energy: -639.574168 where: bonds (distance) C4'-P energy: -123.126 bonds (distance) P-C4' energy: -134.564 flat angles C4'-P-C4' energy: -147.622 flat angles P-C4'-P energy: -89.365 tors. eta vs tors. theta energy: -144.897 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: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -2076.904328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.904328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.904328 (E_RNA) where: Base-Base interactions energy: -1422.095 where: short stacking energy: -597.593 Base-Backbone interact. energy: -2.452 local terms energy: -652.357188 where: bonds (distance) C4'-P energy: -142.460 bonds (distance) P-C4' energy: -134.174 flat angles C4'-P-C4' energy: -144.976 flat angles P-C4'-P energy: -102.126 tors. eta vs tors. theta energy: -128.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1777.048609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.048609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.048609 (E_RNA) where: Base-Base interactions energy: -1198.246 where: short stacking energy: -556.698 Base-Backbone interact. energy: 1.582 local terms energy: -580.384609 where: bonds (distance) C4'-P energy: -142.116 bonds (distance) P-C4' energy: -119.950 flat angles C4'-P-C4' energy: -140.020 flat angles P-C4'-P energy: -58.996 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: 10, replica: 6 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1425.838775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.838775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.838775 (E_RNA) where: Base-Base interactions energy: -899.097 where: short stacking energy: -427.788 Base-Backbone interact. energy: -0.135 local terms energy: -526.606360 where: bonds (distance) C4'-P energy: -122.867 bonds (distance) P-C4' energy: -120.353 flat angles C4'-P-C4' energy: -140.151 flat angles P-C4'-P energy: -70.574 tors. eta vs tors. theta energy: -72.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3059.085025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.085025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.085025 (E_RNA) where: Base-Base interactions energy: -2203.702 where: short stacking energy: -904.885 Base-Backbone interact. energy: 6.263 local terms energy: -861.646335 where: bonds (distance) C4'-P energy: -168.685 bonds (distance) P-C4' energy: -154.474 flat angles C4'-P-C4' energy: -182.617 flat angles P-C4'-P energy: -114.089 tors. eta vs tors. theta energy: -241.781 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: 319 Temperature: 0.950000 Total energy: -3013.763587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.763587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.763587 (E_RNA) where: Base-Base interactions energy: -2142.275 where: short stacking energy: -909.852 Base-Backbone interact. energy: -1.280 local terms energy: -870.209006 where: bonds (distance) C4'-P energy: -143.885 bonds (distance) P-C4' energy: -157.239 flat angles C4'-P-C4' energy: -182.388 flat angles P-C4'-P energy: -122.841 tors. eta vs tors. theta energy: -263.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2847.683840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.683840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.683840 (E_RNA) where: Base-Base interactions energy: -2042.765 where: short stacking energy: -844.416 Base-Backbone interact. energy: 2.759 local terms energy: -807.678052 where: bonds (distance) C4'-P energy: -140.564 bonds (distance) P-C4' energy: -154.897 flat angles C4'-P-C4' energy: -168.070 flat angles P-C4'-P energy: -114.458 tors. eta vs tors. theta energy: -229.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2767.324185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.324185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.324185 (E_RNA) where: Base-Base interactions energy: -1975.398 where: short stacking energy: -820.436 Base-Backbone interact. energy: -2.853 local terms energy: -789.072868 where: bonds (distance) C4'-P energy: -142.214 bonds (distance) P-C4' energy: -158.053 flat angles C4'-P-C4' energy: -158.769 flat angles P-C4'-P energy: -119.940 tors. eta vs tors. theta energy: -210.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2553.356461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.356461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.356461 (E_RNA) where: Base-Base interactions energy: -1780.168 where: short stacking energy: -736.993 Base-Backbone interact. energy: -1.964 local terms energy: -771.224869 where: bonds (distance) C4'-P energy: -130.667 bonds (distance) P-C4' energy: -160.676 flat angles C4'-P-C4' energy: -168.766 flat angles P-C4'-P energy: -119.209 tors. eta vs tors. theta energy: -191.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2454.809882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.809882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.809882 (E_RNA) where: Base-Base interactions energy: -1727.980 where: short stacking energy: -717.209 Base-Backbone interact. energy: -2.585 local terms energy: -724.243900 where: bonds (distance) C4'-P energy: -114.631 bonds (distance) P-C4' energy: -146.232 flat angles C4'-P-C4' energy: -170.109 flat angles P-C4'-P energy: -113.101 tors. eta vs tors. theta energy: -180.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2230.948985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.948985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.948985 (E_RNA) where: Base-Base interactions energy: -1575.639 where: short stacking energy: -659.046 Base-Backbone interact. energy: -1.823 local terms energy: -653.487195 where: bonds (distance) C4'-P energy: -143.348 bonds (distance) P-C4' energy: -138.457 flat angles C4'-P-C4' energy: -141.876 flat angles P-C4'-P energy: -86.922 tors. eta vs tors. theta energy: -142.885 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: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -2034.598850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.598850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.598850 (E_RNA) where: Base-Base interactions energy: -1388.528 where: short stacking energy: -590.800 Base-Backbone interact. energy: 4.107 local terms energy: -650.177041 where: bonds (distance) C4'-P energy: -125.496 bonds (distance) P-C4' energy: -142.187 flat angles C4'-P-C4' energy: -147.522 flat angles P-C4'-P energy: -102.788 tors. eta vs tors. theta energy: -132.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1730.001818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.001818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.001818 (E_RNA) where: Base-Base interactions energy: -1173.480 where: short stacking energy: -513.346 Base-Backbone interact. energy: 0.116 local terms energy: -556.637800 where: bonds (distance) C4'-P energy: -129.500 bonds (distance) P-C4' energy: -132.515 flat angles C4'-P-C4' energy: -126.975 flat angles P-C4'-P energy: -72.525 tors. eta vs tors. theta energy: -95.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1446.507211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.507211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.507211 (E_RNA) where: Base-Base interactions energy: -932.177 where: short stacking energy: -403.282 Base-Backbone interact. energy: -0.034 local terms energy: -514.296260 where: bonds (distance) C4'-P energy: -131.590 bonds (distance) P-C4' energy: -124.006 flat angles C4'-P-C4' energy: -98.595 flat angles P-C4'-P energy: -88.997 tors. eta vs tors. theta energy: -71.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3060.739957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.739957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.739957 (E_RNA) where: Base-Base interactions energy: -2211.142 where: short stacking energy: -905.749 Base-Backbone interact. energy: 7.307 local terms energy: -856.904701 where: bonds (distance) C4'-P energy: -159.202 bonds (distance) P-C4' energy: -157.367 flat angles C4'-P-C4' energy: -178.439 flat angles P-C4'-P energy: -115.817 tors. eta vs tors. theta energy: -246.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -3000.619994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.619994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.619994 (E_RNA) where: Base-Base interactions energy: -2156.616 where: short stacking energy: -908.047 Base-Backbone interact. energy: -1.281 local terms energy: -842.723406 where: bonds (distance) C4'-P energy: -150.538 bonds (distance) P-C4' energy: -144.178 flat angles C4'-P-C4' energy: -177.914 flat angles P-C4'-P energy: -117.423 tors. eta vs tors. theta energy: -252.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2842.440055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.440055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.440055 (E_RNA) where: Base-Base interactions energy: -2024.353 where: short stacking energy: -853.233 Base-Backbone interact. energy: 1.192 local terms energy: -819.278399 where: bonds (distance) C4'-P energy: -141.412 bonds (distance) P-C4' energy: -157.482 flat angles C4'-P-C4' energy: -178.161 flat angles P-C4'-P energy: -108.960 tors. eta vs tors. theta energy: -233.264 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: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2767.705498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.705498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.705498 (E_RNA) where: Base-Base interactions energy: -1957.800 where: short stacking energy: -812.617 Base-Backbone interact. energy: -5.735 local terms energy: -804.170244 where: bonds (distance) C4'-P energy: -159.022 bonds (distance) P-C4' energy: -152.296 flat angles C4'-P-C4' energy: -175.808 flat angles P-C4'-P energy: -111.267 tors. eta vs tors. theta energy: -205.777 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: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2540.867899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.867899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.867899 (E_RNA) where: Base-Base interactions energy: -1810.662 where: short stacking energy: -749.582 Base-Backbone interact. energy: -0.117 local terms energy: -730.088755 where: bonds (distance) C4'-P energy: -121.878 bonds (distance) P-C4' energy: -156.533 flat angles C4'-P-C4' energy: -161.075 flat angles P-C4'-P energy: -110.641 tors. eta vs tors. theta energy: -179.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2469.476805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.476805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.476805 (E_RNA) where: Base-Base interactions energy: -1723.258 where: short stacking energy: -703.087 Base-Backbone interact. energy: -5.550 local terms energy: -740.668841 where: bonds (distance) C4'-P energy: -144.354 bonds (distance) P-C4' energy: -130.152 flat angles C4'-P-C4' energy: -159.402 flat angles P-C4'-P energy: -114.856 tors. eta vs tors. theta energy: -191.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2188.451301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.451301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.451301 (E_RNA) where: Base-Base interactions energy: -1561.806 where: short stacking energy: -660.985 Base-Backbone interact. energy: -2.775 local terms energy: -623.870864 where: bonds (distance) C4'-P energy: -122.784 bonds (distance) P-C4' energy: -136.829 flat angles C4'-P-C4' energy: -138.153 flat angles P-C4'-P energy: -83.112 tors. eta vs tors. theta energy: -142.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -2089.253499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.253499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.253499 (E_RNA) where: Base-Base interactions energy: -1440.776 where: short stacking energy: -630.926 Base-Backbone interact. energy: -4.096 local terms energy: -644.381823 where: bonds (distance) C4'-P energy: -105.518 bonds (distance) P-C4' energy: -135.976 flat angles C4'-P-C4' energy: -152.745 flat angles P-C4'-P energy: -96.536 tors. eta vs tors. theta energy: -153.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1702.290386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.290386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.290386 (E_RNA) where: Base-Base interactions energy: -1134.706 where: short stacking energy: -492.867 Base-Backbone interact. energy: 4.843 local terms energy: -572.427792 where: bonds (distance) C4'-P energy: -117.992 bonds (distance) P-C4' energy: -143.403 flat angles C4'-P-C4' energy: -139.771 flat angles P-C4'-P energy: -86.227 tors. eta vs tors. theta energy: -85.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1414.460934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.460934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.460934 (E_RNA) where: Base-Base interactions energy: -893.902 where: short stacking energy: -437.323 Base-Backbone interact. energy: 0.073 local terms energy: -520.631600 where: bonds (distance) C4'-P energy: -102.588 bonds (distance) P-C4' energy: -123.828 flat angles C4'-P-C4' energy: -136.531 flat angles P-C4'-P energy: -76.511 tors. eta vs tors. theta energy: -81.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3030.540516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.540516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.540516 (E_RNA) where: Base-Base interactions energy: -2170.728 where: short stacking energy: -893.445 Base-Backbone interact. energy: -3.860 local terms energy: -855.953271 where: bonds (distance) C4'-P energy: -152.997 bonds (distance) P-C4' energy: -148.226 flat angles C4'-P-C4' energy: -185.436 flat angles P-C4'-P energy: -123.610 tors. eta vs tors. theta energy: -245.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -3032.361174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.361174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.361174 (E_RNA) where: Base-Base interactions energy: -2142.467 where: short stacking energy: -913.543 Base-Backbone interact. energy: -1.466 local terms energy: -888.428617 where: bonds (distance) C4'-P energy: -155.436 bonds (distance) P-C4' energy: -164.335 flat angles C4'-P-C4' energy: -182.728 flat angles P-C4'-P energy: -120.735 tors. eta vs tors. theta energy: -265.194 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: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2824.395994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.395994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.395994 (E_RNA) where: Base-Base interactions energy: -2016.020 where: short stacking energy: -851.453 Base-Backbone interact. energy: 2.894 local terms energy: -811.269997 where: bonds (distance) C4'-P energy: -145.311 bonds (distance) P-C4' energy: -154.778 flat angles C4'-P-C4' energy: -175.555 flat angles P-C4'-P energy: -117.356 tors. eta vs tors. theta energy: -218.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2747.962800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.962800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.962800 (E_RNA) where: Base-Base interactions energy: -1968.483 where: short stacking energy: -828.142 Base-Backbone interact. energy: 0.167 local terms energy: -779.646560 where: bonds (distance) C4'-P energy: -143.387 bonds (distance) P-C4' energy: -142.543 flat angles C4'-P-C4' energy: -187.116 flat angles P-C4'-P energy: -91.989 tors. eta vs tors. theta energy: -214.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2517.803271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.803271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.803271 (E_RNA) where: Base-Base interactions energy: -1753.014 where: short stacking energy: -759.264 Base-Backbone interact. energy: 0.017 local terms energy: -764.806258 where: bonds (distance) C4'-P energy: -150.816 bonds (distance) P-C4' energy: -148.163 flat angles C4'-P-C4' energy: -172.279 flat angles P-C4'-P energy: -104.354 tors. eta vs tors. theta energy: -189.195 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: 4 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2496.025807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.025807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.025807 (E_RNA) where: Base-Base interactions energy: -1765.517 where: short stacking energy: -753.141 Base-Backbone interact. energy: -3.081 local terms energy: -727.428001 where: bonds (distance) C4'-P energy: -151.540 bonds (distance) P-C4' energy: -131.677 flat angles C4'-P-C4' energy: -152.307 flat angles P-C4'-P energy: -100.613 tors. eta vs tors. theta energy: -191.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2274.478333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.478333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.478333 (E_RNA) where: Base-Base interactions energy: -1605.533 where: short stacking energy: -669.132 Base-Backbone interact. energy: 0.268 local terms energy: -669.213221 where: bonds (distance) C4'-P energy: -120.920 bonds (distance) P-C4' energy: -130.060 flat angles C4'-P-C4' energy: -166.577 flat angles P-C4'-P energy: -108.175 tors. eta vs tors. theta energy: -143.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -2092.665786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.665786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.665786 (E_RNA) where: Base-Base interactions energy: -1472.529 where: short stacking energy: -637.282 Base-Backbone interact. energy: 0.503 local terms energy: -620.640448 where: bonds (distance) C4'-P energy: -116.239 bonds (distance) P-C4' energy: -126.659 flat angles C4'-P-C4' energy: -128.544 flat angles P-C4'-P energy: -93.668 tors. eta vs tors. theta energy: -155.530 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: 9, replica: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1747.748307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.748307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.748307 (E_RNA) where: Base-Base interactions energy: -1173.276 where: short stacking energy: -540.167 Base-Backbone interact. energy: 2.121 local terms energy: -576.593146 where: bonds (distance) C4'-P energy: -129.251 bonds (distance) P-C4' energy: -128.934 flat angles C4'-P-C4' energy: -139.433 flat angles P-C4'-P energy: -91.735 tors. eta vs tors. theta energy: -87.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1426.663932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.663932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.663932 (E_RNA) where: Base-Base interactions energy: -910.344 where: short stacking energy: -447.938 Base-Backbone interact. energy: 1.253 local terms energy: -517.573157 where: bonds (distance) C4'-P energy: -127.404 bonds (distance) P-C4' energy: -113.019 flat angles C4'-P-C4' energy: -114.736 flat angles P-C4'-P energy: -81.601 tors. eta vs tors. theta energy: -80.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3077.055312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.055312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.055312 (E_RNA) where: Base-Base interactions energy: -2162.279 where: short stacking energy: -914.595 Base-Backbone interact. energy: -4.161 local terms energy: -910.615373 where: bonds (distance) C4'-P energy: -161.952 bonds (distance) P-C4' energy: -176.021 flat angles C4'-P-C4' energy: -191.160 flat angles P-C4'-P energy: -124.611 tors. eta vs tors. theta energy: -256.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -3014.600742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.600742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.600742 (E_RNA) where: Base-Base interactions energy: -2145.454 where: short stacking energy: -891.462 Base-Backbone interact. energy: 0.789 local terms energy: -869.935744 where: bonds (distance) C4'-P energy: -164.903 bonds (distance) P-C4' energy: -156.019 flat angles C4'-P-C4' energy: -179.087 flat angles P-C4'-P energy: -132.928 tors. eta vs tors. theta energy: -236.998 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: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2848.996497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.996497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.996497 (E_RNA) where: Base-Base interactions energy: -2044.723 where: short stacking energy: -844.863 Base-Backbone interact. energy: 6.208 local terms energy: -810.481136 where: bonds (distance) C4'-P energy: -140.035 bonds (distance) P-C4' energy: -156.776 flat angles C4'-P-C4' energy: -176.923 flat angles P-C4'-P energy: -111.619 tors. eta vs tors. theta energy: -225.128 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: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2739.690279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.690279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.690279 (E_RNA) where: Base-Base interactions energy: -1979.973 where: short stacking energy: -826.426 Base-Backbone interact. energy: -2.196 local terms energy: -757.521330 where: bonds (distance) C4'-P energy: -147.601 bonds (distance) P-C4' energy: -134.166 flat angles C4'-P-C4' energy: -171.578 flat angles P-C4'-P energy: -100.469 tors. eta vs tors. theta energy: -203.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2514.833342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.833342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.833342 (E_RNA) where: Base-Base interactions energy: -1777.954 where: short stacking energy: -745.001 Base-Backbone interact. energy: -2.970 local terms energy: -733.909720 where: bonds (distance) C4'-P energy: -146.091 bonds (distance) P-C4' energy: -145.155 flat angles C4'-P-C4' energy: -157.050 flat angles P-C4'-P energy: -102.194 tors. eta vs tors. theta energy: -183.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2502.056818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.056818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.056818 (E_RNA) where: Base-Base interactions energy: -1766.645 where: short stacking energy: -766.356 Base-Backbone interact. energy: -1.097 local terms energy: -734.314201 where: bonds (distance) C4'-P energy: -130.303 bonds (distance) P-C4' energy: -156.994 flat angles C4'-P-C4' energy: -159.451 flat angles P-C4'-P energy: -93.665 tors. eta vs tors. theta energy: -193.902 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: 2 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2213.730230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.730230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.730230 (E_RNA) where: Base-Base interactions energy: -1596.868 where: short stacking energy: -621.906 Base-Backbone interact. energy: 4.368 local terms energy: -621.230419 where: bonds (distance) C4'-P energy: -111.292 bonds (distance) P-C4' energy: -151.402 flat angles C4'-P-C4' energy: -143.884 flat angles P-C4'-P energy: -78.787 tors. eta vs tors. theta energy: -135.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -2091.917528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.917528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.917528 (E_RNA) where: Base-Base interactions energy: -1478.303 where: short stacking energy: -635.815 Base-Backbone interact. energy: -6.220 local terms energy: -607.394811 where: bonds (distance) C4'-P energy: -113.121 bonds (distance) P-C4' energy: -113.232 flat angles C4'-P-C4' energy: -142.734 flat angles P-C4'-P energy: -89.971 tors. eta vs tors. theta energy: -148.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1671.936996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.936996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.936996 (E_RNA) where: Base-Base interactions energy: -1090.837 where: short stacking energy: -471.685 Base-Backbone interact. energy: 1.873 local terms energy: -582.973374 where: bonds (distance) C4'-P energy: -130.554 bonds (distance) P-C4' energy: -144.908 flat angles C4'-P-C4' energy: -123.838 flat angles P-C4'-P energy: -101.660 tors. eta vs tors. theta energy: -82.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1436.032775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.032775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.032775 (E_RNA) where: Base-Base interactions energy: -950.502 where: short stacking energy: -454.459 Base-Backbone interact. energy: 1.482 local terms energy: -487.013438 where: bonds (distance) C4'-P energy: -75.414 bonds (distance) P-C4' energy: -129.632 flat angles C4'-P-C4' energy: -129.103 flat angles P-C4'-P energy: -82.483 tors. eta vs tors. theta energy: -70.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3053.296613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.296613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.296613 (E_RNA) where: Base-Base interactions energy: -2140.829 where: short stacking energy: -893.247 Base-Backbone interact. energy: -0.451 local terms energy: -912.016710 where: bonds (distance) C4'-P energy: -162.324 bonds (distance) P-C4' energy: -171.647 flat angles C4'-P-C4' energy: -189.263 flat angles P-C4'-P energy: -129.200 tors. eta vs tors. theta energy: -259.583 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: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -3023.928823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.928823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.928823 (E_RNA) where: Base-Base interactions energy: -2152.659 where: short stacking energy: -897.339 Base-Backbone interact. energy: -6.106 local terms energy: -865.163681 where: bonds (distance) C4'-P energy: -162.442 bonds (distance) P-C4' energy: -164.268 flat angles C4'-P-C4' energy: -182.594 flat angles P-C4'-P energy: -123.265 tors. eta vs tors. theta energy: -232.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2843.747267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.747267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.747267 (E_RNA) where: Base-Base interactions energy: -2022.440 where: short stacking energy: -844.313 Base-Backbone interact. energy: -1.762 local terms energy: -819.544459 where: bonds (distance) C4'-P energy: -154.032 bonds (distance) P-C4' energy: -146.028 flat angles C4'-P-C4' energy: -174.690 flat angles P-C4'-P energy: -119.136 tors. eta vs tors. theta energy: -225.658 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: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2730.860079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.860079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.860079 (E_RNA) where: Base-Base interactions energy: -1929.767 where: short stacking energy: -805.108 Base-Backbone interact. energy: 0.785 local terms energy: -801.878224 where: bonds (distance) C4'-P energy: -150.859 bonds (distance) P-C4' energy: -143.360 flat angles C4'-P-C4' energy: -179.018 flat angles P-C4'-P energy: -118.518 tors. eta vs tors. theta energy: -210.124 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: 323 Temperature: 1.100000 Total energy: -2494.234660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.234660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.234660 (E_RNA) where: Base-Base interactions energy: -1752.122 where: short stacking energy: -715.995 Base-Backbone interact. energy: -1.414 local terms energy: -740.698996 where: bonds (distance) C4'-P energy: -142.656 bonds (distance) P-C4' energy: -150.550 flat angles C4'-P-C4' energy: -164.134 flat angles P-C4'-P energy: -111.110 tors. eta vs tors. theta energy: -172.249 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: 4 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2410.359221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.359221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.359221 (E_RNA) where: Base-Base interactions energy: -1702.534 where: short stacking energy: -704.181 Base-Backbone interact. energy: -3.486 local terms energy: -704.338874 where: bonds (distance) C4'-P energy: -127.426 bonds (distance) P-C4' energy: -146.717 flat angles C4'-P-C4' energy: -159.632 flat angles P-C4'-P energy: -90.602 tors. eta vs tors. theta energy: -179.962 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: 2 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2277.763563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.763563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.763563 (E_RNA) where: Base-Base interactions energy: -1626.073 where: short stacking energy: -667.151 Base-Backbone interact. energy: -3.486 local terms energy: -648.205244 where: bonds (distance) C4'-P energy: -107.460 bonds (distance) P-C4' energy: -138.247 flat angles C4'-P-C4' energy: -164.340 flat angles P-C4'-P energy: -77.851 tors. eta vs tors. theta energy: -160.307 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: 8, replica: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -2065.065863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.065863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.065863 (E_RNA) where: Base-Base interactions energy: -1436.859 where: short stacking energy: -630.216 Base-Backbone interact. energy: -2.072 local terms energy: -626.134075 where: bonds (distance) C4'-P energy: -124.957 bonds (distance) P-C4' energy: -145.387 flat angles C4'-P-C4' energy: -132.049 flat angles P-C4'-P energy: -81.588 tors. eta vs tors. theta energy: -142.153 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: 9, replica: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1808.904968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.904968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.904968 (E_RNA) where: Base-Base interactions energy: -1211.389 where: short stacking energy: -542.767 Base-Backbone interact. energy: -2.628 local terms energy: -594.887973 where: bonds (distance) C4'-P energy: -122.244 bonds (distance) P-C4' energy: -128.570 flat angles C4'-P-C4' energy: -128.100 flat angles P-C4'-P energy: -99.403 tors. eta vs tors. theta energy: -116.572 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: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1391.322131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.322131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.322131 (E_RNA) where: Base-Base interactions energy: -920.990 where: short stacking energy: -433.006 Base-Backbone interact. energy: 4.807 local terms energy: -475.139038 where: bonds (distance) C4'-P energy: -110.688 bonds (distance) P-C4' energy: -121.138 flat angles C4'-P-C4' energy: -103.151 flat angles P-C4'-P energy: -76.847 tors. eta vs tors. theta energy: -63.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3040.494419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.494419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.494419 (E_RNA) where: Base-Base interactions energy: -2163.389 where: short stacking energy: -898.255 Base-Backbone interact. energy: -3.516 local terms energy: -873.588951 where: bonds (distance) C4'-P energy: -145.362 bonds (distance) P-C4' energy: -164.083 flat angles C4'-P-C4' energy: -187.477 flat angles P-C4'-P energy: -134.858 tors. eta vs tors. theta energy: -241.809 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: 7 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2997.738666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.738666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.738666 (E_RNA) where: Base-Base interactions energy: -2147.145 where: short stacking energy: -889.841 Base-Backbone interact. energy: -3.534 local terms energy: -847.059170 where: bonds (distance) C4'-P energy: -160.584 bonds (distance) P-C4' energy: -150.669 flat angles C4'-P-C4' energy: -178.641 flat angles P-C4'-P energy: -122.765 tors. eta vs tors. theta energy: -234.400 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: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2821.346297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.346297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.346297 (E_RNA) where: Base-Base interactions energy: -1983.917 where: short stacking energy: -844.800 Base-Backbone interact. energy: -5.398 local terms energy: -832.031100 where: bonds (distance) C4'-P energy: -159.101 bonds (distance) P-C4' energy: -155.135 flat angles C4'-P-C4' energy: -175.090 flat angles P-C4'-P energy: -111.842 tors. eta vs tors. theta energy: -230.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2777.850935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.850935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.850935 (E_RNA) where: Base-Base interactions energy: -2004.602 where: short stacking energy: -836.401 Base-Backbone interact. energy: 0.846 local terms energy: -774.095502 where: bonds (distance) C4'-P energy: -131.220 bonds (distance) P-C4' energy: -155.920 flat angles C4'-P-C4' energy: -176.556 flat angles P-C4'-P energy: -102.282 tors. eta vs tors. theta energy: -208.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2567.303895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.303895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.303895 (E_RNA) where: Base-Base interactions energy: -1809.100 where: short stacking energy: -766.578 Base-Backbone interact. energy: -2.775 local terms energy: -755.429040 where: bonds (distance) C4'-P energy: -139.139 bonds (distance) P-C4' energy: -149.146 flat angles C4'-P-C4' energy: -167.602 flat angles P-C4'-P energy: -96.785 tors. eta vs tors. theta energy: -202.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2464.286473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.286473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.286473 (E_RNA) where: Base-Base interactions energy: -1761.077 where: short stacking energy: -736.095 Base-Backbone interact. energy: 5.546 local terms energy: -708.754742 where: bonds (distance) C4'-P energy: -152.698 bonds (distance) P-C4' energy: -132.035 flat angles C4'-P-C4' energy: -152.853 flat angles P-C4'-P energy: -102.777 tors. eta vs tors. theta energy: -168.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2276.210017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.210017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.210017 (E_RNA) where: Base-Base interactions energy: -1609.499 where: short stacking energy: -707.141 Base-Backbone interact. energy: 6.209 local terms energy: -672.919997 where: bonds (distance) C4'-P energy: -116.655 bonds (distance) P-C4' energy: -152.182 flat angles C4'-P-C4' energy: -142.416 flat angles P-C4'-P energy: -87.164 tors. eta vs tors. theta energy: -174.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -2050.113135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.113135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.113135 (E_RNA) where: Base-Base interactions energy: -1446.144 where: short stacking energy: -629.295 Base-Backbone interact. energy: -2.261 local terms energy: -601.708038 where: bonds (distance) C4'-P energy: -133.733 bonds (distance) P-C4' energy: -121.066 flat angles C4'-P-C4' energy: -138.636 flat angles P-C4'-P energy: -78.838 tors. eta vs tors. theta energy: -129.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1753.895715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.895715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.895715 (E_RNA) where: Base-Base interactions energy: -1200.399 where: short stacking energy: -540.467 Base-Backbone interact. energy: -3.285 local terms energy: -550.211497 where: bonds (distance) C4'-P energy: -133.925 bonds (distance) P-C4' energy: -120.201 flat angles C4'-P-C4' energy: -127.502 flat angles P-C4'-P energy: -60.642 tors. eta vs tors. theta energy: -107.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1354.194579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.194579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.194579 (E_RNA) where: Base-Base interactions energy: -840.191 where: short stacking energy: -397.167 Base-Backbone interact. energy: 0.039 local terms energy: -514.043257 where: bonds (distance) C4'-P energy: -125.960 bonds (distance) P-C4' energy: -121.833 flat angles C4'-P-C4' energy: -132.082 flat angles P-C4'-P energy: -81.537 tors. eta vs tors. theta energy: -52.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3050.430014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.430014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.430014 (E_RNA) where: Base-Base interactions energy: -2150.949 where: short stacking energy: -901.185 Base-Backbone interact. energy: -5.374 local terms energy: -894.106599 where: bonds (distance) C4'-P energy: -162.837 bonds (distance) P-C4' energy: -164.890 flat angles C4'-P-C4' energy: -188.722 flat angles P-C4'-P energy: -127.248 tors. eta vs tors. theta energy: -250.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2989.670072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.670072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.670072 (E_RNA) where: Base-Base interactions energy: -2150.479 where: short stacking energy: -854.739 Base-Backbone interact. energy: 0.298 local terms energy: -839.488806 where: bonds (distance) C4'-P energy: -154.308 bonds (distance) P-C4' energy: -168.415 flat angles C4'-P-C4' energy: -174.826 flat angles P-C4'-P energy: -108.935 tors. eta vs tors. theta energy: -233.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2836.213115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.213115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.213115 (E_RNA) where: Base-Base interactions energy: -2014.604 where: short stacking energy: -834.798 Base-Backbone interact. energy: -4.944 local terms energy: -816.665391 where: bonds (distance) C4'-P energy: -147.740 bonds (distance) P-C4' energy: -152.762 flat angles C4'-P-C4' energy: -176.819 flat angles P-C4'-P energy: -128.353 tors. eta vs tors. theta energy: -210.991 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: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2740.754208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.754208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.754208 (E_RNA) where: Base-Base interactions energy: -1936.832 where: short stacking energy: -823.247 Base-Backbone interact. energy: -2.575 local terms energy: -801.346555 where: bonds (distance) C4'-P energy: -147.417 bonds (distance) P-C4' energy: -157.641 flat angles C4'-P-C4' energy: -170.231 flat angles P-C4'-P energy: -115.339 tors. eta vs tors. theta energy: -210.719 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: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2600.511189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.511189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.511189 (E_RNA) where: Base-Base interactions energy: -1853.194 where: short stacking energy: -795.824 Base-Backbone interact. energy: -1.340 local terms energy: -745.976934 where: bonds (distance) C4'-P energy: -127.030 bonds (distance) P-C4' energy: -141.131 flat angles C4'-P-C4' energy: -167.182 flat angles P-C4'-P energy: -105.594 tors. eta vs tors. theta energy: -205.040 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: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2418.572038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.572038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.572038 (E_RNA) where: Base-Base interactions energy: -1722.594 where: short stacking energy: -720.295 Base-Backbone interact. energy: -0.274 local terms energy: -695.704138 where: bonds (distance) C4'-P energy: -131.758 bonds (distance) P-C4' energy: -130.837 flat angles C4'-P-C4' energy: -163.142 flat angles P-C4'-P energy: -89.617 tors. eta vs tors. theta energy: -180.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2293.354668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.354668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.354668 (E_RNA) where: Base-Base interactions energy: -1614.963 where: short stacking energy: -654.415 Base-Backbone interact. energy: -1.477 local terms energy: -676.914869 where: bonds (distance) C4'-P energy: -143.761 bonds (distance) P-C4' energy: -134.644 flat angles C4'-P-C4' energy: -158.455 flat angles P-C4'-P energy: -89.114 tors. eta vs tors. theta energy: -150.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -2067.116024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.116024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.116024 (E_RNA) where: Base-Base interactions energy: -1419.324 where: short stacking energy: -607.087 Base-Backbone interact. energy: -1.314 local terms energy: -646.477790 where: bonds (distance) C4'-P energy: -131.907 bonds (distance) P-C4' energy: -135.110 flat angles C4'-P-C4' energy: -154.017 flat angles P-C4'-P energy: -92.092 tors. eta vs tors. theta energy: -133.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1788.577697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.577697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.577697 (E_RNA) where: Base-Base interactions energy: -1246.186 where: short stacking energy: -550.908 Base-Backbone interact. energy: 2.461 local terms energy: -544.852549 where: bonds (distance) C4'-P energy: -99.565 bonds (distance) P-C4' energy: -116.324 flat angles C4'-P-C4' energy: -138.570 flat angles P-C4'-P energy: -74.533 tors. eta vs tors. theta energy: -115.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1349.241466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.241466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.241466 (E_RNA) where: Base-Base interactions energy: -860.836 where: short stacking energy: -392.190 Base-Backbone interact. energy: 2.616 local terms energy: -491.021238 where: bonds (distance) C4'-P energy: -94.882 bonds (distance) P-C4' energy: -140.227 flat angles C4'-P-C4' energy: -109.797 flat angles P-C4'-P energy: -101.486 tors. eta vs tors. theta energy: -44.629 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: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3066.551626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.551626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.551626 (E_RNA) where: Base-Base interactions energy: -2186.429 where: short stacking energy: -911.417 Base-Backbone interact. energy: -2.784 local terms energy: -877.338418 where: bonds (distance) C4'-P energy: -158.108 bonds (distance) P-C4' energy: -161.192 flat angles C4'-P-C4' energy: -185.972 flat angles P-C4'-P energy: -116.095 tors. eta vs tors. theta energy: -255.972 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: 7 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2972.290024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.290024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.290024 (E_RNA) where: Base-Base interactions energy: -2129.440 where: short stacking energy: -862.600 Base-Backbone interact. energy: -4.617 local terms energy: -838.233364 where: bonds (distance) C4'-P energy: -148.277 bonds (distance) P-C4' energy: -159.473 flat angles C4'-P-C4' energy: -180.722 flat angles P-C4'-P energy: -120.536 tors. eta vs tors. theta energy: -229.226 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: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2812.549603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.549603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.549603 (E_RNA) where: Base-Base interactions energy: -2005.919 where: short stacking energy: -829.323 Base-Backbone interact. energy: -0.485 local terms energy: -806.145929 where: bonds (distance) C4'-P energy: -171.534 bonds (distance) P-C4' energy: -140.686 flat angles C4'-P-C4' energy: -166.388 flat angles P-C4'-P energy: -126.455 tors. eta vs tors. theta energy: -201.083 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: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2743.387372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.387372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.387372 (E_RNA) where: Base-Base interactions energy: -1947.466 where: short stacking energy: -832.925 Base-Backbone interact. energy: -3.803 local terms energy: -792.118072 where: bonds (distance) C4'-P energy: -144.795 bonds (distance) P-C4' energy: -131.519 flat angles C4'-P-C4' energy: -169.208 flat angles P-C4'-P energy: -118.160 tors. eta vs tors. theta energy: -228.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2594.186044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.186044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.186044 (E_RNA) where: Base-Base interactions energy: -1879.532 where: short stacking energy: -777.184 Base-Backbone interact. energy: -3.908 local terms energy: -710.745218 where: bonds (distance) C4'-P energy: -126.470 bonds (distance) P-C4' energy: -133.464 flat angles C4'-P-C4' energy: -159.265 flat angles P-C4'-P energy: -101.021 tors. eta vs tors. theta energy: -190.526 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: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2440.878488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.878488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.878488 (E_RNA) where: Base-Base interactions energy: -1719.049 where: short stacking energy: -719.961 Base-Backbone interact. energy: -1.257 local terms energy: -720.573097 where: bonds (distance) C4'-P energy: -136.962 bonds (distance) P-C4' energy: -139.787 flat angles C4'-P-C4' energy: -159.289 flat angles P-C4'-P energy: -121.230 tors. eta vs tors. theta energy: -163.305 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: 2 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2288.514490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.514490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.514490 (E_RNA) where: Base-Base interactions energy: -1637.582 where: short stacking energy: -672.087 Base-Backbone interact. energy: 0.162 local terms energy: -651.095156 where: bonds (distance) C4'-P energy: -124.827 bonds (distance) P-C4' energy: -133.627 flat angles C4'-P-C4' energy: -142.351 flat angles P-C4'-P energy: -93.985 tors. eta vs tors. theta energy: -156.305 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: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -2128.545342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.545342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.545342 (E_RNA) where: Base-Base interactions energy: -1506.651 where: short stacking energy: -648.187 Base-Backbone interact. energy: 3.168 local terms energy: -625.061680 where: bonds (distance) C4'-P energy: -118.087 bonds (distance) P-C4' energy: -139.007 flat angles C4'-P-C4' energy: -151.703 flat angles P-C4'-P energy: -71.790 tors. eta vs tors. theta energy: -144.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1762.501488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.501488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.501488 (E_RNA) where: Base-Base interactions energy: -1180.407 where: short stacking energy: -521.431 Base-Backbone interact. energy: -4.250 local terms energy: -577.844803 where: bonds (distance) C4'-P energy: -130.724 bonds (distance) P-C4' energy: -143.626 flat angles C4'-P-C4' energy: -133.318 flat angles P-C4'-P energy: -61.086 tors. eta vs tors. theta energy: -109.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1422.523558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.523558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.523558 (E_RNA) where: Base-Base interactions energy: -922.868 where: short stacking energy: -439.953 Base-Backbone interact. energy: -3.565 local terms energy: -496.090621 where: bonds (distance) C4'-P energy: -106.747 bonds (distance) P-C4' energy: -119.384 flat angles C4'-P-C4' energy: -93.460 flat angles P-C4'-P energy: -89.661 tors. eta vs tors. theta energy: -86.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3058.681554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.681554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.681554 (E_RNA) where: Base-Base interactions energy: -2168.327 where: short stacking energy: -909.160 Base-Backbone interact. energy: -3.863 local terms energy: -886.491359 where: bonds (distance) C4'-P energy: -150.173 bonds (distance) P-C4' energy: -166.091 flat angles C4'-P-C4' energy: -184.002 flat angles P-C4'-P energy: -128.022 tors. eta vs tors. theta energy: -258.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2982.266640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.266640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.266640 (E_RNA) where: Base-Base interactions energy: -2149.269 where: short stacking energy: -881.539 Base-Backbone interact. energy: 2.124 local terms energy: -835.121334 where: bonds (distance) C4'-P energy: -150.818 bonds (distance) P-C4' energy: -163.180 flat angles C4'-P-C4' energy: -176.382 flat angles P-C4'-P energy: -115.017 tors. eta vs tors. theta energy: -229.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2797.369299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.369299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.369299 (E_RNA) where: Base-Base interactions energy: -1994.739 where: short stacking energy: -842.177 Base-Backbone interact. energy: -4.656 local terms energy: -797.973751 where: bonds (distance) C4'-P energy: -161.168 bonds (distance) P-C4' energy: -138.778 flat angles C4'-P-C4' energy: -177.950 flat angles P-C4'-P energy: -132.285 tors. eta vs tors. theta energy: -187.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2774.291001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.291001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.291001 (E_RNA) where: Base-Base interactions energy: -1962.446 where: short stacking energy: -840.445 Base-Backbone interact. energy: 0.119 local terms energy: -811.963483 where: bonds (distance) C4'-P energy: -158.082 bonds (distance) P-C4' energy: -153.017 flat angles C4'-P-C4' energy: -173.001 flat angles P-C4'-P energy: -122.202 tors. eta vs tors. theta energy: -205.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2560.478007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.478007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.478007 (E_RNA) where: Base-Base interactions energy: -1845.277 where: short stacking energy: -724.941 Base-Backbone interact. energy: 1.728 local terms energy: -716.928934 where: bonds (distance) C4'-P energy: -139.358 bonds (distance) P-C4' energy: -134.396 flat angles C4'-P-C4' energy: -151.087 flat angles P-C4'-P energy: -97.788 tors. eta vs tors. theta energy: -194.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2473.729747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.729747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.729747 (E_RNA) where: Base-Base interactions energy: -1751.679 where: short stacking energy: -761.503 Base-Backbone interact. energy: 1.916 local terms energy: -723.966647 where: bonds (distance) C4'-P energy: -128.922 bonds (distance) P-C4' energy: -150.002 flat angles C4'-P-C4' energy: -152.346 flat angles P-C4'-P energy: -100.095 tors. eta vs tors. theta energy: -192.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2342.563111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.563111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.563111 (E_RNA) where: Base-Base interactions energy: -1684.133 where: short stacking energy: -701.729 Base-Backbone interact. energy: 2.851 local terms energy: -661.280823 where: bonds (distance) C4'-P energy: -127.314 bonds (distance) P-C4' energy: -137.560 flat angles C4'-P-C4' energy: -139.440 flat angles P-C4'-P energy: -96.442 tors. eta vs tors. theta energy: -160.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -2101.720552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.720552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.720552 (E_RNA) where: Base-Base interactions energy: -1490.652 where: short stacking energy: -603.808 Base-Backbone interact. energy: -1.770 local terms energy: -609.299078 where: bonds (distance) C4'-P energy: -129.225 bonds (distance) P-C4' energy: -124.248 flat angles C4'-P-C4' energy: -142.851 flat angles P-C4'-P energy: -82.523 tors. eta vs tors. theta energy: -130.452 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: 5 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1757.315033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.315033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.315033 (E_RNA) where: Base-Base interactions energy: -1176.640 where: short stacking energy: -524.286 Base-Backbone interact. energy: 3.270 local terms energy: -583.945902 where: bonds (distance) C4'-P energy: -123.354 bonds (distance) P-C4' energy: -122.362 flat angles C4'-P-C4' energy: -141.394 flat angles P-C4'-P energy: -92.721 tors. eta vs tors. theta energy: -104.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1535.142443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.142443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.142443 (E_RNA) where: Base-Base interactions energy: -1036.037 where: short stacking energy: -471.940 Base-Backbone interact. energy: -0.336 local terms energy: -498.768940 where: bonds (distance) C4'-P energy: -130.293 bonds (distance) P-C4' energy: -103.132 flat angles C4'-P-C4' energy: -119.096 flat angles P-C4'-P energy: -64.360 tors. eta vs tors. theta energy: -81.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3076.377732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.377732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.377732 (E_RNA) where: Base-Base interactions energy: -2176.863 where: short stacking energy: -946.535 Base-Backbone interact. energy: -3.820 local terms energy: -895.694563 where: bonds (distance) C4'-P energy: -168.816 bonds (distance) P-C4' energy: -154.962 flat angles C4'-P-C4' energy: -182.795 flat angles P-C4'-P energy: -133.645 tors. eta vs tors. theta energy: -255.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2987.446792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.446792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.446792 (E_RNA) where: Base-Base interactions energy: -2142.121 where: short stacking energy: -899.530 Base-Backbone interact. energy: 3.140 local terms energy: -848.465095 where: bonds (distance) C4'-P energy: -147.609 bonds (distance) P-C4' energy: -152.340 flat angles C4'-P-C4' energy: -176.396 flat angles P-C4'-P energy: -120.860 tors. eta vs tors. theta energy: -251.259 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: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2809.593114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.593114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.593114 (E_RNA) where: Base-Base interactions energy: -1974.447 where: short stacking energy: -824.747 Base-Backbone interact. energy: -3.242 local terms energy: -831.904047 where: bonds (distance) C4'-P energy: -150.486 bonds (distance) P-C4' energy: -159.898 flat angles C4'-P-C4' energy: -181.757 flat angles P-C4'-P energy: -122.268 tors. eta vs tors. theta energy: -217.496 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: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2759.811511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.811511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.811511 (E_RNA) where: Base-Base interactions energy: -1937.884 where: short stacking energy: -827.565 Base-Backbone interact. energy: -2.891 local terms energy: -819.036442 where: bonds (distance) C4'-P energy: -145.963 bonds (distance) P-C4' energy: -163.747 flat angles C4'-P-C4' energy: -171.432 flat angles P-C4'-P energy: -118.618 tors. eta vs tors. theta energy: -219.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2588.236713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.236713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.236713 (E_RNA) where: Base-Base interactions energy: -1862.571 where: short stacking energy: -737.812 Base-Backbone interact. energy: -2.027 local terms energy: -723.639442 where: bonds (distance) C4'-P energy: -142.300 bonds (distance) P-C4' energy: -126.342 flat angles C4'-P-C4' energy: -157.381 flat angles P-C4'-P energy: -95.049 tors. eta vs tors. theta energy: -202.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2470.625735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.625735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.625735 (E_RNA) where: Base-Base interactions energy: -1755.613 where: short stacking energy: -733.815 Base-Backbone interact. energy: -1.772 local terms energy: -713.239966 where: bonds (distance) C4'-P energy: -122.382 bonds (distance) P-C4' energy: -129.261 flat angles C4'-P-C4' energy: -176.936 flat angles P-C4'-P energy: -108.176 tors. eta vs tors. theta energy: -176.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2242.592297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.592297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.592297 (E_RNA) where: Base-Base interactions energy: -1589.578 where: short stacking energy: -674.305 Base-Backbone interact. energy: 3.487 local terms energy: -656.501252 where: bonds (distance) C4'-P energy: -129.805 bonds (distance) P-C4' energy: -136.644 flat angles C4'-P-C4' energy: -141.022 flat angles P-C4'-P energy: -96.698 tors. eta vs tors. theta energy: -152.332 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: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -2081.446665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.446665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.446665 (E_RNA) where: Base-Base interactions energy: -1411.722 where: short stacking energy: -615.714 Base-Backbone interact. energy: -3.005 local terms energy: -666.719410 where: bonds (distance) C4'-P energy: -135.612 bonds (distance) P-C4' energy: -141.850 flat angles C4'-P-C4' energy: -158.533 flat angles P-C4'-P energy: -90.103 tors. eta vs tors. theta energy: -140.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1776.305061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.305061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.305061 (E_RNA) where: Base-Base interactions energy: -1211.414 where: short stacking energy: -544.836 Base-Backbone interact. energy: -0.384 local terms energy: -564.506850 where: bonds (distance) C4'-P energy: -99.497 bonds (distance) P-C4' energy: -152.220 flat angles C4'-P-C4' energy: -123.207 flat angles P-C4'-P energy: -85.275 tors. eta vs tors. theta energy: -104.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1532.871251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.871251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.871251 (E_RNA) where: Base-Base interactions energy: -983.407 where: short stacking energy: -453.043 Base-Backbone interact. energy: -5.253 local terms energy: -544.210694 where: bonds (distance) C4'-P energy: -127.174 bonds (distance) P-C4' energy: -123.379 flat angles C4'-P-C4' energy: -137.626 flat angles P-C4'-P energy: -76.975 tors. eta vs tors. theta energy: -79.057 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: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3039.940640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.940640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.940640 (E_RNA) where: Base-Base interactions energy: -2158.664 where: short stacking energy: -910.493 Base-Backbone interact. energy: -0.972 local terms energy: -880.305466 where: bonds (distance) C4'-P energy: -147.664 bonds (distance) P-C4' energy: -172.236 flat angles C4'-P-C4' energy: -181.883 flat angles P-C4'-P energy: -119.767 tors. eta vs tors. theta energy: -258.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2971.533860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.533860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.533860 (E_RNA) where: Base-Base interactions energy: -2133.980 where: short stacking energy: -870.948 Base-Backbone interact. energy: -4.429 local terms energy: -833.124099 where: bonds (distance) C4'-P energy: -124.615 bonds (distance) P-C4' energy: -150.829 flat angles C4'-P-C4' energy: -185.260 flat angles P-C4'-P energy: -130.511 tors. eta vs tors. theta energy: -241.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2793.348462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.348462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.348462 (E_RNA) where: Base-Base interactions energy: -1985.690 where: short stacking energy: -863.971 Base-Backbone interact. energy: -5.019 local terms energy: -802.639600 where: bonds (distance) C4'-P energy: -133.594 bonds (distance) P-C4' energy: -157.037 flat angles C4'-P-C4' energy: -181.375 flat angles P-C4'-P energy: -104.289 tors. eta vs tors. theta energy: -226.344 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: 329 Temperature: 1.050000 Total energy: -2751.660223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.660223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.660223 (E_RNA) where: Base-Base interactions energy: -2002.729 where: short stacking energy: -828.197 Base-Backbone interact. energy: -2.589 local terms energy: -746.342684 where: bonds (distance) C4'-P energy: -131.742 bonds (distance) P-C4' energy: -138.704 flat angles C4'-P-C4' energy: -158.319 flat angles P-C4'-P energy: -117.663 tors. eta vs tors. theta energy: -199.914 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: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2557.479091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.479091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.479091 (E_RNA) where: Base-Base interactions energy: -1803.948 where: short stacking energy: -724.753 Base-Backbone interact. energy: -1.200 local terms energy: -752.331000 where: bonds (distance) C4'-P energy: -128.463 bonds (distance) P-C4' energy: -153.298 flat angles C4'-P-C4' energy: -174.894 flat angles P-C4'-P energy: -108.374 tors. eta vs tors. theta energy: -187.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2472.799655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.799655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.799655 (E_RNA) where: Base-Base interactions energy: -1731.995 where: short stacking energy: -701.324 Base-Backbone interact. energy: -6.315 local terms energy: -734.489065 where: bonds (distance) C4'-P energy: -141.366 bonds (distance) P-C4' energy: -153.834 flat angles C4'-P-C4' energy: -167.583 flat angles P-C4'-P energy: -110.047 tors. eta vs tors. theta energy: -161.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2199.076368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.076368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.076368 (E_RNA) where: Base-Base interactions energy: -1567.193 where: short stacking energy: -646.837 Base-Backbone interact. energy: -1.716 local terms energy: -630.166658 where: bonds (distance) C4'-P energy: -125.301 bonds (distance) P-C4' energy: -131.563 flat angles C4'-P-C4' energy: -141.245 flat angles P-C4'-P energy: -92.860 tors. eta vs tors. theta energy: -139.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -2062.385981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.385981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.385981 (E_RNA) where: Base-Base interactions energy: -1386.445 where: short stacking energy: -601.841 Base-Backbone interact. energy: -4.916 local terms energy: -671.025556 where: bonds (distance) C4'-P energy: -139.060 bonds (distance) P-C4' energy: -160.544 flat angles C4'-P-C4' energy: -158.279 flat angles P-C4'-P energy: -72.215 tors. eta vs tors. theta energy: -140.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1817.826983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.826983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.826983 (E_RNA) where: Base-Base interactions energy: -1267.083 where: short stacking energy: -563.909 Base-Backbone interact. energy: -2.946 local terms energy: -547.797982 where: bonds (distance) C4'-P energy: -101.014 bonds (distance) P-C4' energy: -105.326 flat angles C4'-P-C4' energy: -153.486 flat angles P-C4'-P energy: -72.080 tors. eta vs tors. theta energy: -115.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1502.911442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.911442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.911442 (E_RNA) where: Base-Base interactions energy: -984.614 where: short stacking energy: -458.945 Base-Backbone interact. energy: 2.584 local terms energy: -520.881495 where: bonds (distance) C4'-P energy: -121.735 bonds (distance) P-C4' energy: -136.624 flat angles C4'-P-C4' energy: -112.139 flat angles P-C4'-P energy: -76.178 tors. eta vs tors. theta energy: -74.205 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: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3068.363244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.363244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.363244 (E_RNA) where: Base-Base interactions energy: -2183.602 where: short stacking energy: -927.231 Base-Backbone interact. energy: -6.076 local terms energy: -878.685250 where: bonds (distance) C4'-P energy: -158.529 bonds (distance) P-C4' energy: -162.950 flat angles C4'-P-C4' energy: -171.526 flat angles P-C4'-P energy: -128.527 tors. eta vs tors. theta energy: -257.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2998.420507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.420507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.420507 (E_RNA) where: Base-Base interactions energy: -2134.706 where: short stacking energy: -880.483 Base-Backbone interact. energy: -7.791 local terms energy: -855.923029 where: bonds (distance) C4'-P energy: -144.080 bonds (distance) P-C4' energy: -157.408 flat angles C4'-P-C4' energy: -187.793 flat angles P-C4'-P energy: -129.228 tors. eta vs tors. theta energy: -237.413 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: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2841.265135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.265135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.265135 (E_RNA) where: Base-Base interactions energy: -2026.958 where: short stacking energy: -826.490 Base-Backbone interact. energy: -0.086 local terms energy: -814.221620 where: bonds (distance) C4'-P energy: -155.770 bonds (distance) P-C4' energy: -145.210 flat angles C4'-P-C4' energy: -171.428 flat angles P-C4'-P energy: -116.208 tors. eta vs tors. theta energy: -225.606 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: 330 Temperature: 1.050000 Total energy: -2780.398074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.398074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.398074 (E_RNA) where: Base-Base interactions energy: -2004.478 where: short stacking energy: -825.398 Base-Backbone interact. energy: 0.265 local terms energy: -776.184515 where: bonds (distance) C4'-P energy: -140.472 bonds (distance) P-C4' energy: -151.544 flat angles C4'-P-C4' energy: -161.859 flat angles P-C4'-P energy: -114.729 tors. eta vs tors. theta energy: -207.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2566.187877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.187877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.187877 (E_RNA) where: Base-Base interactions energy: -1834.706 where: short stacking energy: -768.522 Base-Backbone interact. energy: -2.352 local terms energy: -729.130141 where: bonds (distance) C4'-P energy: -131.048 bonds (distance) P-C4' energy: -137.993 flat angles C4'-P-C4' energy: -177.041 flat angles P-C4'-P energy: -91.760 tors. eta vs tors. theta energy: -191.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2445.434114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.434114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.434114 (E_RNA) where: Base-Base interactions energy: -1720.587 where: short stacking energy: -695.871 Base-Backbone interact. energy: 0.071 local terms energy: -724.918576 where: bonds (distance) C4'-P energy: -154.132 bonds (distance) P-C4' energy: -151.310 flat angles C4'-P-C4' energy: -150.631 flat angles P-C4'-P energy: -93.736 tors. eta vs tors. theta energy: -175.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2226.720211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.720211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.720211 (E_RNA) where: Base-Base interactions energy: -1593.329 where: short stacking energy: -654.409 Base-Backbone interact. energy: 2.319 local terms energy: -635.709862 where: bonds (distance) C4'-P energy: -130.378 bonds (distance) P-C4' energy: -131.985 flat angles C4'-P-C4' energy: -145.161 flat angles P-C4'-P energy: -80.808 tors. eta vs tors. theta energy: -147.377 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: 8, replica: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -2053.328818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.328818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.328818 (E_RNA) where: Base-Base interactions energy: -1418.660 where: short stacking energy: -609.217 Base-Backbone interact. energy: -3.359 local terms energy: -631.309421 where: bonds (distance) C4'-P energy: -129.873 bonds (distance) P-C4' energy: -126.080 flat angles C4'-P-C4' energy: -146.186 flat angles P-C4'-P energy: -79.237 tors. eta vs tors. theta energy: -149.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1826.666109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.666109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.666109 (E_RNA) where: Base-Base interactions energy: -1226.989 where: short stacking energy: -572.330 Base-Backbone interact. energy: 5.113 local terms energy: -604.789931 where: bonds (distance) C4'-P energy: -143.654 bonds (distance) P-C4' energy: -126.106 flat angles C4'-P-C4' energy: -148.538 flat angles P-C4'-P energy: -76.263 tors. eta vs tors. theta energy: -110.229 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: 6 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1491.264905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.264905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.264905 (E_RNA) where: Base-Base interactions energy: -983.636 where: short stacking energy: -451.924 Base-Backbone interact. energy: 5.613 local terms energy: -513.241507 where: bonds (distance) C4'-P energy: -119.824 bonds (distance) P-C4' energy: -118.694 flat angles C4'-P-C4' energy: -147.370 flat angles P-C4'-P energy: -66.708 tors. eta vs tors. theta energy: -60.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3078.459183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.459183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.459183 (E_RNA) where: Base-Base interactions energy: -2178.430 where: short stacking energy: -931.490 Base-Backbone interact. energy: -5.722 local terms energy: -894.307240 where: bonds (distance) C4'-P energy: -168.589 bonds (distance) P-C4' energy: -162.992 flat angles C4'-P-C4' energy: -183.844 flat angles P-C4'-P energy: -117.692 tors. eta vs tors. theta energy: -261.190 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: 7 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -3001.476235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.476235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.476235 (E_RNA) where: Base-Base interactions energy: -2139.259 where: short stacking energy: -898.272 Base-Backbone interact. energy: -2.448 local terms energy: -859.769160 where: bonds (distance) C4'-P energy: -163.794 bonds (distance) P-C4' energy: -153.294 flat angles C4'-P-C4' energy: -182.174 flat angles P-C4'-P energy: -113.254 tors. eta vs tors. theta energy: -247.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2812.456705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.456705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.456705 (E_RNA) where: Base-Base interactions energy: -2014.132 where: short stacking energy: -852.163 Base-Backbone interact. energy: -3.441 local terms energy: -794.884301 where: bonds (distance) C4'-P energy: -157.836 bonds (distance) P-C4' energy: -139.865 flat angles C4'-P-C4' energy: -172.346 flat angles P-C4'-P energy: -102.157 tors. eta vs tors. theta energy: -222.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2734.767270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.767270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.767270 (E_RNA) where: Base-Base interactions energy: -1946.188 where: short stacking energy: -809.757 Base-Backbone interact. energy: -5.445 local terms energy: -783.134083 where: bonds (distance) C4'-P energy: -130.654 bonds (distance) P-C4' energy: -156.552 flat angles C4'-P-C4' energy: -173.806 flat angles P-C4'-P energy: -121.379 tors. eta vs tors. theta energy: -200.743 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: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2577.532263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.532263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.532263 (E_RNA) where: Base-Base interactions energy: -1825.085 where: short stacking energy: -767.130 Base-Backbone interact. energy: -1.371 local terms energy: -751.076408 where: bonds (distance) C4'-P energy: -132.447 bonds (distance) P-C4' energy: -136.605 flat angles C4'-P-C4' energy: -175.617 flat angles P-C4'-P energy: -99.263 tors. eta vs tors. theta energy: -207.145 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: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2413.159940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.159940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.159940 (E_RNA) where: Base-Base interactions energy: -1705.505 where: short stacking energy: -699.700 Base-Backbone interact. energy: -2.093 local terms energy: -705.562165 where: bonds (distance) C4'-P energy: -122.577 bonds (distance) P-C4' energy: -133.544 flat angles C4'-P-C4' energy: -160.801 flat angles P-C4'-P energy: -118.811 tors. eta vs tors. theta energy: -169.829 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: 7, replica: 2 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2209.735226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.735226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.735226 (E_RNA) where: Base-Base interactions energy: -1546.947 where: short stacking energy: -642.668 Base-Backbone interact. energy: -5.689 local terms energy: -657.099308 where: bonds (distance) C4'-P energy: -123.601 bonds (distance) P-C4' energy: -134.532 flat angles C4'-P-C4' energy: -164.777 flat angles P-C4'-P energy: -90.646 tors. eta vs tors. theta energy: -143.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -2051.944170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.944170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.944170 (E_RNA) where: Base-Base interactions energy: -1421.289 where: short stacking energy: -614.761 Base-Backbone interact. energy: -1.496 local terms energy: -629.159424 where: bonds (distance) C4'-P energy: -124.506 bonds (distance) P-C4' energy: -144.655 flat angles C4'-P-C4' energy: -151.659 flat angles P-C4'-P energy: -83.901 tors. eta vs tors. theta energy: -124.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1801.285262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.285262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.285262 (E_RNA) where: Base-Base interactions energy: -1199.047 where: short stacking energy: -547.222 Base-Backbone interact. energy: -2.075 local terms energy: -600.163181 where: bonds (distance) C4'-P energy: -131.466 bonds (distance) P-C4' energy: -140.971 flat angles C4'-P-C4' energy: -125.069 flat angles P-C4'-P energy: -84.552 tors. eta vs tors. theta energy: -118.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1434.725849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.725849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.725849 (E_RNA) where: Base-Base interactions energy: -915.624 where: short stacking energy: -429.054 Base-Backbone interact. energy: 0.394 local terms energy: -519.495922 where: bonds (distance) C4'-P energy: -137.275 bonds (distance) P-C4' energy: -118.112 flat angles C4'-P-C4' energy: -136.228 flat angles P-C4'-P energy: -62.368 tors. eta vs tors. theta energy: -65.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3065.678747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.678747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.678747 (E_RNA) where: Base-Base interactions energy: -2168.660 where: short stacking energy: -909.592 Base-Backbone interact. energy: -1.584 local terms energy: -895.434754 where: bonds (distance) C4'-P energy: -162.466 bonds (distance) P-C4' energy: -161.848 flat angles C4'-P-C4' energy: -184.494 flat angles P-C4'-P energy: -132.513 tors. eta vs tors. theta energy: -254.113 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: 2, replica: 7 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2993.984287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.984287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.984287 (E_RNA) where: Base-Base interactions energy: -2130.672 where: short stacking energy: -914.828 Base-Backbone interact. energy: -1.722 local terms energy: -861.590377 where: bonds (distance) C4'-P energy: -146.537 bonds (distance) P-C4' energy: -174.213 flat angles C4'-P-C4' energy: -191.785 flat angles P-C4'-P energy: -117.972 tors. eta vs tors. theta energy: -231.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2794.217740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.217740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.217740 (E_RNA) where: Base-Base interactions energy: -1953.410 where: short stacking energy: -808.464 Base-Backbone interact. energy: -3.659 local terms energy: -837.147955 where: bonds (distance) C4'-P energy: -161.788 bonds (distance) P-C4' energy: -161.198 flat angles C4'-P-C4' energy: -169.182 flat angles P-C4'-P energy: -120.916 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: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2684.617462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.617462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.617462 (E_RNA) where: Base-Base interactions energy: -1980.195 where: short stacking energy: -816.775 Base-Backbone interact. energy: -1.511 local terms energy: -702.911869 where: bonds (distance) C4'-P energy: -129.190 bonds (distance) P-C4' energy: -118.625 flat angles C4'-P-C4' energy: -170.138 flat angles P-C4'-P energy: -96.411 tors. eta vs tors. theta energy: -188.547 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: 4 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2575.412422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.412422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.412422 (E_RNA) where: Base-Base interactions energy: -1825.994 where: short stacking energy: -784.938 Base-Backbone interact. energy: -9.359 local terms energy: -740.059426 where: bonds (distance) C4'-P energy: -122.983 bonds (distance) P-C4' energy: -155.435 flat angles C4'-P-C4' energy: -162.825 flat angles P-C4'-P energy: -108.587 tors. eta vs tors. theta energy: -190.229 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: 332 Temperature: 1.150000 Total energy: -2427.397465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.397465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.397465 (E_RNA) where: Base-Base interactions energy: -1736.768 where: short stacking energy: -726.398 Base-Backbone interact. energy: -1.141 local terms energy: -689.488602 where: bonds (distance) C4'-P energy: -126.660 bonds (distance) P-C4' energy: -132.145 flat angles C4'-P-C4' energy: -158.415 flat angles P-C4'-P energy: -108.065 tors. eta vs tors. theta energy: -164.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2235.030234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.030234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.030234 (E_RNA) where: Base-Base interactions energy: -1559.196 where: short stacking energy: -655.656 Base-Backbone interact. energy: 3.199 local terms energy: -679.033868 where: bonds (distance) C4'-P energy: -131.599 bonds (distance) P-C4' energy: -148.939 flat angles C4'-P-C4' energy: -159.381 flat angles P-C4'-P energy: -98.161 tors. eta vs tors. theta energy: -140.954 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: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -2082.479172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.479172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.479172 (E_RNA) where: Base-Base interactions energy: -1439.360 where: short stacking energy: -624.216 Base-Backbone interact. energy: -1.314 local terms energy: -641.804658 where: bonds (distance) C4'-P energy: -123.123 bonds (distance) P-C4' energy: -152.124 flat angles C4'-P-C4' energy: -143.527 flat angles P-C4'-P energy: -88.943 tors. eta vs tors. theta energy: -134.088 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: 5 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1798.961061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.961061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.961061 (E_RNA) where: Base-Base interactions energy: -1207.855 where: short stacking energy: -495.923 Base-Backbone interact. energy: -5.970 local terms energy: -585.136919 where: bonds (distance) C4'-P energy: -133.593 bonds (distance) P-C4' energy: -145.528 flat angles C4'-P-C4' energy: -131.218 flat angles P-C4'-P energy: -80.514 tors. eta vs tors. theta energy: -94.284 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: 10, replica: 6 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1489.277725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.277725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.277725 (E_RNA) where: Base-Base interactions energy: -972.494 where: short stacking energy: -458.495 Base-Backbone interact. energy: 7.904 local terms energy: -524.687793 where: bonds (distance) C4'-P energy: -101.535 bonds (distance) P-C4' energy: -143.998 flat angles C4'-P-C4' energy: -137.053 flat angles P-C4'-P energy: -85.469 tors. eta vs tors. theta energy: -56.633 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: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3116.519864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.519864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.519864 (E_RNA) where: Base-Base interactions energy: -2181.424 where: short stacking energy: -913.399 Base-Backbone interact. energy: -5.238 local terms energy: -929.857563 where: bonds (distance) C4'-P energy: -166.136 bonds (distance) P-C4' energy: -164.657 flat angles C4'-P-C4' energy: -189.802 flat angles P-C4'-P energy: -141.655 tors. eta vs tors. theta energy: -267.608 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: 7 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -3001.394617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.394617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.394617 (E_RNA) where: Base-Base interactions energy: -2160.387 where: short stacking energy: -894.830 Base-Backbone interact. energy: -1.758 local terms energy: -839.249244 where: bonds (distance) C4'-P energy: -142.871 bonds (distance) P-C4' energy: -161.534 flat angles C4'-P-C4' energy: -166.249 flat angles P-C4'-P energy: -132.169 tors. eta vs tors. theta energy: -236.426 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: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2815.786098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.786098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.786098 (E_RNA) where: Base-Base interactions energy: -2005.256 where: short stacking energy: -825.943 Base-Backbone interact. energy: -6.749 local terms energy: -803.781166 where: bonds (distance) C4'-P energy: -145.505 bonds (distance) P-C4' energy: -150.672 flat angles C4'-P-C4' energy: -174.522 flat angles P-C4'-P energy: -109.437 tors. eta vs tors. theta energy: -223.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2744.247200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.247200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.247200 (E_RNA) where: Base-Base interactions energy: -1972.834 where: short stacking energy: -813.222 Base-Backbone interact. energy: -2.071 local terms energy: -769.342488 where: bonds (distance) C4'-P energy: -150.601 bonds (distance) P-C4' energy: -140.574 flat angles C4'-P-C4' energy: -166.590 flat angles P-C4'-P energy: -100.606 tors. eta vs tors. theta energy: -210.972 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: 4 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2552.672477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.672477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.672477 (E_RNA) where: Base-Base interactions energy: -1832.382 where: short stacking energy: -743.808 Base-Backbone interact. energy: -4.477 local terms energy: -715.813109 where: bonds (distance) C4'-P energy: -137.800 bonds (distance) P-C4' energy: -142.769 flat angles C4'-P-C4' energy: -152.579 flat angles P-C4'-P energy: -96.991 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: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2415.860916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.860916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.860916 (E_RNA) where: Base-Base interactions energy: -1709.581 where: short stacking energy: -687.055 Base-Backbone interact. energy: -6.125 local terms energy: -700.155294 where: bonds (distance) C4'-P energy: -141.644 bonds (distance) P-C4' energy: -142.756 flat angles C4'-P-C4' energy: -150.550 flat angles P-C4'-P energy: -93.873 tors. eta vs tors. theta energy: -171.333 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: 2 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2245.433807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.433807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.433807 (E_RNA) where: Base-Base interactions energy: -1584.862 where: short stacking energy: -657.046 Base-Backbone interact. energy: -1.491 local terms energy: -659.080234 where: bonds (distance) C4'-P energy: -118.015 bonds (distance) P-C4' energy: -134.286 flat angles C4'-P-C4' energy: -164.558 flat angles P-C4'-P energy: -89.263 tors. eta vs tors. theta energy: -152.958 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: 8, replica: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -2083.970285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.970285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.970285 (E_RNA) where: Base-Base interactions energy: -1430.540 where: short stacking energy: -593.825 Base-Backbone interact. energy: -5.576 local terms energy: -647.854525 where: bonds (distance) C4'-P energy: -120.103 bonds (distance) P-C4' energy: -127.679 flat angles C4'-P-C4' energy: -157.768 flat angles P-C4'-P energy: -92.955 tors. eta vs tors. theta energy: -149.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1899.646103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.646103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.646103 (E_RNA) where: Base-Base interactions energy: -1329.415 where: short stacking energy: -554.426 Base-Backbone interact. energy: 3.600 local terms energy: -573.831044 where: bonds (distance) C4'-P energy: -123.117 bonds (distance) P-C4' energy: -129.829 flat angles C4'-P-C4' energy: -129.324 flat angles P-C4'-P energy: -82.936 tors. eta vs tors. theta energy: -108.625 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: 10, replica: 6 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1473.227683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.227683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.227683 (E_RNA) where: Base-Base interactions energy: -967.722 where: short stacking energy: -438.561 Base-Backbone interact. energy: -0.494 local terms energy: -505.011913 where: bonds (distance) C4'-P energy: -119.874 bonds (distance) P-C4' energy: -119.408 flat angles C4'-P-C4' energy: -144.330 flat angles P-C4'-P energy: -55.317 tors. eta vs tors. theta energy: -66.082 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: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3089.301485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.301485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.301485 (E_RNA) where: Base-Base interactions energy: -2208.059 where: short stacking energy: -925.747 Base-Backbone interact. energy: -1.183 local terms energy: -880.059335 where: bonds (distance) C4'-P energy: -159.975 bonds (distance) P-C4' energy: -155.379 flat angles C4'-P-C4' energy: -193.772 flat angles P-C4'-P energy: -119.288 tors. eta vs tors. theta energy: -251.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2969.102344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.102344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.102344 (E_RNA) where: Base-Base interactions energy: -2134.503 where: short stacking energy: -889.544 Base-Backbone interact. energy: -5.690 local terms energy: -828.909695 where: bonds (distance) C4'-P energy: -149.377 bonds (distance) P-C4' energy: -140.064 flat angles C4'-P-C4' energy: -172.103 flat angles P-C4'-P energy: -127.726 tors. eta vs tors. theta energy: -239.641 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: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2803.471527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.471527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.471527 (E_RNA) where: Base-Base interactions energy: -1971.793 where: short stacking energy: -814.641 Base-Backbone interact. energy: -1.985 local terms energy: -829.693893 where: bonds (distance) C4'-P energy: -154.910 bonds (distance) P-C4' energy: -158.867 flat angles C4'-P-C4' energy: -175.790 flat angles P-C4'-P energy: -120.654 tors. eta vs tors. theta energy: -219.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2754.406671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.406671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.406671 (E_RNA) where: Base-Base interactions energy: -1982.870 where: short stacking energy: -832.448 Base-Backbone interact. energy: 2.116 local terms energy: -773.652951 where: bonds (distance) C4'-P energy: -149.980 bonds (distance) P-C4' energy: -146.658 flat angles C4'-P-C4' energy: -176.038 flat angles P-C4'-P energy: -109.376 tors. eta vs tors. theta energy: -191.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2592.631433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.631433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.631433 (E_RNA) where: Base-Base interactions energy: -1842.765 where: short stacking energy: -758.220 Base-Backbone interact. energy: -2.183 local terms energy: -747.683542 where: bonds (distance) C4'-P energy: -140.684 bonds (distance) P-C4' energy: -144.072 flat angles C4'-P-C4' energy: -156.851 flat angles P-C4'-P energy: -116.119 tors. eta vs tors. theta energy: -189.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2430.834736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.834736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.834736 (E_RNA) where: Base-Base interactions energy: -1766.469 where: short stacking energy: -703.038 Base-Backbone interact. energy: -4.042 local terms energy: -660.323131 where: bonds (distance) C4'-P energy: -125.508 bonds (distance) P-C4' energy: -103.271 flat angles C4'-P-C4' energy: -166.072 flat angles P-C4'-P energy: -88.579 tors. eta vs tors. theta energy: -176.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2223.221868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.221868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.221868 (E_RNA) where: Base-Base interactions energy: -1554.475 where: short stacking energy: -657.108 Base-Backbone interact. energy: -3.720 local terms energy: -665.027390 where: bonds (distance) C4'-P energy: -120.686 bonds (distance) P-C4' energy: -141.502 flat angles C4'-P-C4' energy: -147.968 flat angles P-C4'-P energy: -101.358 tors. eta vs tors. theta energy: -153.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -2068.570128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.570128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.570128 (E_RNA) where: Base-Base interactions energy: -1438.727 where: short stacking energy: -612.938 Base-Backbone interact. energy: 1.877 local terms energy: -631.719669 where: bonds (distance) C4'-P energy: -125.532 bonds (distance) P-C4' energy: -132.052 flat angles C4'-P-C4' energy: -153.123 flat angles P-C4'-P energy: -88.495 tors. eta vs tors. theta energy: -132.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1856.951897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.951897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.951897 (E_RNA) where: Base-Base interactions energy: -1264.332 where: short stacking energy: -528.988 Base-Backbone interact. energy: -1.424 local terms energy: -591.195644 where: bonds (distance) C4'-P energy: -134.116 bonds (distance) P-C4' energy: -113.910 flat angles C4'-P-C4' energy: -129.008 flat angles P-C4'-P energy: -88.477 tors. eta vs tors. theta energy: -125.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1451.883359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.883359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.883359 (E_RNA) where: Base-Base interactions energy: -929.810 where: short stacking energy: -408.080 Base-Backbone interact. energy: -1.347 local terms energy: -520.726466 where: bonds (distance) C4'-P energy: -140.853 bonds (distance) P-C4' energy: -137.485 flat angles C4'-P-C4' energy: -104.488 flat angles P-C4'-P energy: -68.505 tors. eta vs tors. theta energy: -69.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3093.352571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.352571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.352571 (E_RNA) where: Base-Base interactions energy: -2189.336 where: short stacking energy: -928.344 Base-Backbone interact. energy: -2.779 local terms energy: -901.237626 where: bonds (distance) C4'-P energy: -165.110 bonds (distance) P-C4' energy: -163.963 flat angles C4'-P-C4' energy: -177.970 flat angles P-C4'-P energy: -130.542 tors. eta vs tors. theta energy: -263.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2993.824647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.824647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.824647 (E_RNA) where: Base-Base interactions energy: -2154.436 where: short stacking energy: -867.925 Base-Backbone interact. energy: -6.398 local terms energy: -832.990125 where: bonds (distance) C4'-P energy: -148.072 bonds (distance) P-C4' energy: -157.345 flat angles C4'-P-C4' energy: -185.800 flat angles P-C4'-P energy: -115.274 tors. eta vs tors. theta energy: -226.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2830.970925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.970925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.970925 (E_RNA) where: Base-Base interactions energy: -1997.962 where: short stacking energy: -807.418 Base-Backbone interact. energy: -1.768 local terms energy: -831.240465 where: bonds (distance) C4'-P energy: -156.553 bonds (distance) P-C4' energy: -148.843 flat angles C4'-P-C4' energy: -184.454 flat angles P-C4'-P energy: -116.947 tors. eta vs tors. theta energy: -224.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2710.212844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.212844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.212844 (E_RNA) where: Base-Base interactions energy: -1925.941 where: short stacking energy: -823.385 Base-Backbone interact. energy: -5.732 local terms energy: -778.539255 where: bonds (distance) C4'-P energy: -148.843 bonds (distance) P-C4' energy: -170.686 flat angles C4'-P-C4' energy: -167.600 flat angles P-C4'-P energy: -101.971 tors. eta vs tors. theta energy: -189.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2635.203012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.203012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.203012 (E_RNA) where: Base-Base interactions energy: -1893.384 where: short stacking energy: -794.414 Base-Backbone interact. energy: 3.770 local terms energy: -745.589123 where: bonds (distance) C4'-P energy: -142.476 bonds (distance) P-C4' energy: -138.120 flat angles C4'-P-C4' energy: -156.377 flat angles P-C4'-P energy: -102.625 tors. eta vs tors. theta energy: -205.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2363.658253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.658253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.658253 (E_RNA) where: Base-Base interactions energy: -1674.229 where: short stacking energy: -685.530 Base-Backbone interact. energy: -5.649 local terms energy: -683.779921 where: bonds (distance) C4'-P energy: -132.897 bonds (distance) P-C4' energy: -123.346 flat angles C4'-P-C4' energy: -160.149 flat angles P-C4'-P energy: -99.146 tors. eta vs tors. theta energy: -168.242 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: 2 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2235.458225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.458225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.458225 (E_RNA) where: Base-Base interactions energy: -1555.324 where: short stacking energy: -689.524 Base-Backbone interact. energy: -1.119 local terms energy: -679.015455 where: bonds (distance) C4'-P energy: -123.171 bonds (distance) P-C4' energy: -150.777 flat angles C4'-P-C4' energy: -162.700 flat angles P-C4'-P energy: -83.139 tors. eta vs tors. theta energy: -159.229 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: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -2017.124969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.124969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.124969 (E_RNA) where: Base-Base interactions energy: -1390.932 where: short stacking energy: -583.028 Base-Backbone interact. energy: 2.701 local terms energy: -628.894166 where: bonds (distance) C4'-P energy: -133.495 bonds (distance) P-C4' energy: -129.277 flat angles C4'-P-C4' energy: -139.923 flat angles P-C4'-P energy: -97.530 tors. eta vs tors. theta energy: -128.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1852.471487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.471487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.471487 (E_RNA) where: Base-Base interactions energy: -1250.006 where: short stacking energy: -544.048 Base-Backbone interact. energy: -2.210 local terms energy: -600.255521 where: bonds (distance) C4'-P energy: -120.571 bonds (distance) P-C4' energy: -136.237 flat angles C4'-P-C4' energy: -142.025 flat angles P-C4'-P energy: -84.435 tors. eta vs tors. theta energy: -116.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1446.312961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.312961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.312961 (E_RNA) where: Base-Base interactions energy: -967.619 where: short stacking energy: -444.613 Base-Backbone interact. energy: 4.908 local terms energy: -483.602251 where: bonds (distance) C4'-P energy: -96.363 bonds (distance) P-C4' energy: -126.588 flat angles C4'-P-C4' energy: -117.149 flat angles P-C4'-P energy: -72.906 tors. eta vs tors. theta energy: -70.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3089.944725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.944725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.944725 (E_RNA) where: Base-Base interactions energy: -2193.104 where: short stacking energy: -927.537 Base-Backbone interact. energy: -5.153 local terms energy: -891.687588 where: bonds (distance) C4'-P energy: -144.060 bonds (distance) P-C4' energy: -171.613 flat angles C4'-P-C4' energy: -187.261 flat angles P-C4'-P energy: -122.536 tors. eta vs tors. theta energy: -266.218 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: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2982.584162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.584162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.584162 (E_RNA) where: Base-Base interactions energy: -2146.205 where: short stacking energy: -891.371 Base-Backbone interact. energy: -6.945 local terms energy: -829.434370 where: bonds (distance) C4'-P energy: -149.801 bonds (distance) P-C4' energy: -155.336 flat angles C4'-P-C4' energy: -183.060 flat angles P-C4'-P energy: -111.313 tors. eta vs tors. theta energy: -229.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2809.288995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.288995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.288995 (E_RNA) where: Base-Base interactions energy: -1996.782 where: short stacking energy: -835.039 Base-Backbone interact. energy: -2.286 local terms energy: -810.220724 where: bonds (distance) C4'-P energy: -148.717 bonds (distance) P-C4' energy: -156.407 flat angles C4'-P-C4' energy: -169.179 flat angles P-C4'-P energy: -110.706 tors. eta vs tors. theta energy: -225.212 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: 4, replica: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2743.994126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.994126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.994126 (E_RNA) where: Base-Base interactions energy: -1967.931 where: short stacking energy: -815.788 Base-Backbone interact. energy: -3.067 local terms energy: -772.995757 where: bonds (distance) C4'-P energy: -156.534 bonds (distance) P-C4' energy: -153.628 flat angles C4'-P-C4' energy: -155.615 flat angles P-C4'-P energy: -106.737 tors. eta vs tors. theta energy: -200.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2636.146842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.146842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.146842 (E_RNA) where: Base-Base interactions energy: -1893.613 where: short stacking energy: -759.705 Base-Backbone interact. energy: -1.407 local terms energy: -741.126141 where: bonds (distance) C4'-P energy: -132.498 bonds (distance) P-C4' energy: -130.393 flat angles C4'-P-C4' energy: -167.703 flat angles P-C4'-P energy: -103.081 tors. eta vs tors. theta energy: -207.451 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: 6, replica: 8 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2402.706630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.706630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.706630 (E_RNA) where: Base-Base interactions energy: -1695.405 where: short stacking energy: -706.743 Base-Backbone interact. energy: -1.941 local terms energy: -705.360798 where: bonds (distance) C4'-P energy: -142.672 bonds (distance) P-C4' energy: -135.336 flat angles C4'-P-C4' energy: -154.171 flat angles P-C4'-P energy: -94.141 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: 7, replica: 2 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2267.287264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.287264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.287264 (E_RNA) where: Base-Base interactions energy: -1595.494 where: short stacking energy: -684.092 Base-Backbone interact. energy: -0.236 local terms energy: -671.557625 where: bonds (distance) C4'-P energy: -142.652 bonds (distance) P-C4' energy: -122.213 flat angles C4'-P-C4' energy: -157.232 flat angles P-C4'-P energy: -81.790 tors. eta vs tors. theta energy: -167.670 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: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -2104.467980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.467980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.467980 (E_RNA) where: Base-Base interactions energy: -1468.946 where: short stacking energy: -653.808 Base-Backbone interact. energy: -1.388 local terms energy: -634.133534 where: bonds (distance) C4'-P energy: -118.097 bonds (distance) P-C4' energy: -121.332 flat angles C4'-P-C4' energy: -164.308 flat angles P-C4'-P energy: -77.628 tors. eta vs tors. theta energy: -152.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1923.336450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.336450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.336450 (E_RNA) where: Base-Base interactions energy: -1329.890 where: short stacking energy: -564.871 Base-Backbone interact. energy: -1.861 local terms energy: -591.586148 where: bonds (distance) C4'-P energy: -140.034 bonds (distance) P-C4' energy: -113.106 flat angles C4'-P-C4' energy: -138.162 flat angles P-C4'-P energy: -81.710 tors. eta vs tors. theta energy: -118.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1399.867055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.867055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.867055 (E_RNA) where: Base-Base interactions energy: -887.623 where: short stacking energy: -439.329 Base-Backbone interact. energy: -1.877 local terms energy: -510.366581 where: bonds (distance) C4'-P energy: -111.378 bonds (distance) P-C4' energy: -140.522 flat angles C4'-P-C4' energy: -122.585 flat angles P-C4'-P energy: -73.426 tors. eta vs tors. theta energy: -62.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3079.277666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.277666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.277666 (E_RNA) where: Base-Base interactions energy: -2199.806 where: short stacking energy: -920.007 Base-Backbone interact. energy: 0.484 local terms energy: -879.955254 where: bonds (distance) C4'-P energy: -159.460 bonds (distance) P-C4' energy: -146.974 flat angles C4'-P-C4' energy: -189.459 flat angles P-C4'-P energy: -125.014 tors. eta vs tors. theta energy: -259.047 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: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -3018.195470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.195470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.195470 (E_RNA) where: Base-Base interactions energy: -2165.090 where: short stacking energy: -889.658 Base-Backbone interact. energy: -3.317 local terms energy: -849.788856 where: bonds (distance) C4'-P energy: -154.044 bonds (distance) P-C4' energy: -171.607 flat angles C4'-P-C4' energy: -179.977 flat angles P-C4'-P energy: -105.066 tors. eta vs tors. theta energy: -239.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2808.050453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.050453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.050453 (E_RNA) where: Base-Base interactions energy: -1999.000 where: short stacking energy: -846.535 Base-Backbone interact. energy: -4.048 local terms energy: -805.001817 where: bonds (distance) C4'-P energy: -135.994 bonds (distance) P-C4' energy: -161.176 flat angles C4'-P-C4' energy: -176.017 flat angles P-C4'-P energy: -104.590 tors. eta vs tors. theta energy: -227.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2688.991208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.991208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.991208 (E_RNA) where: Base-Base interactions energy: -1906.384 where: short stacking energy: -800.274 Base-Backbone interact. energy: -3.852 local terms energy: -778.755349 where: bonds (distance) C4'-P energy: -143.756 bonds (distance) P-C4' energy: -146.242 flat angles C4'-P-C4' energy: -168.687 flat angles P-C4'-P energy: -120.949 tors. eta vs tors. theta energy: -199.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2566.258806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.258806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.258806 (E_RNA) where: Base-Base interactions energy: -1826.432 where: short stacking energy: -753.396 Base-Backbone interact. energy: -0.308 local terms energy: -739.518754 where: bonds (distance) C4'-P energy: -140.566 bonds (distance) P-C4' energy: -150.964 flat angles C4'-P-C4' energy: -148.015 flat angles P-C4'-P energy: -111.707 tors. eta vs tors. theta energy: -188.266 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: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2444.941243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.941243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.941243 (E_RNA) where: Base-Base interactions energy: -1711.265 where: short stacking energy: -718.701 Base-Backbone interact. energy: -3.444 local terms energy: -730.232191 where: bonds (distance) C4'-P energy: -149.294 bonds (distance) P-C4' energy: -146.979 flat angles C4'-P-C4' energy: -163.348 flat angles P-C4'-P energy: -86.487 tors. eta vs tors. theta energy: -184.125 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: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2256.146827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.146827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.146827 (E_RNA) where: Base-Base interactions energy: -1603.329 where: short stacking energy: -669.778 Base-Backbone interact. energy: 0.943 local terms energy: -653.760646 where: bonds (distance) C4'-P energy: -134.864 bonds (distance) P-C4' energy: -121.261 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -85.890 tors. eta vs tors. theta energy: -161.069 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: 9 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -2117.348444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.348444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.348444 (E_RNA) where: Base-Base interactions energy: -1457.908 where: short stacking energy: -663.514 Base-Backbone interact. energy: -2.612 local terms energy: -656.828413 where: bonds (distance) C4'-P energy: -135.797 bonds (distance) P-C4' energy: -147.644 flat angles C4'-P-C4' energy: -134.621 flat angles P-C4'-P energy: -91.341 tors. eta vs tors. theta energy: -147.425 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: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1888.458772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.458772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.458772 (E_RNA) where: Base-Base interactions energy: -1297.198 where: short stacking energy: -545.474 Base-Backbone interact. energy: 0.968 local terms energy: -592.228689 where: bonds (distance) C4'-P energy: -114.755 bonds (distance) P-C4' energy: -144.571 flat angles C4'-P-C4' energy: -134.182 flat angles P-C4'-P energy: -80.386 tors. eta vs tors. theta energy: -118.335 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: 10, replica: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1470.281999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.281999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.281999 (E_RNA) where: Base-Base interactions energy: -966.947 where: short stacking energy: -411.515 Base-Backbone interact. energy: 1.748 local terms energy: -505.083301 where: bonds (distance) C4'-P energy: -114.959 bonds (distance) P-C4' energy: -125.992 flat angles C4'-P-C4' energy: -142.342 flat angles P-C4'-P energy: -88.846 tors. eta vs tors. theta energy: -32.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3089.006057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.006057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.006057 (E_RNA) where: Base-Base interactions energy: -2160.851 where: short stacking energy: -896.327 Base-Backbone interact. energy: -6.998 local terms energy: -921.157056 where: bonds (distance) C4'-P energy: -168.867 bonds (distance) P-C4' energy: -165.213 flat angles C4'-P-C4' energy: -194.420 flat angles P-C4'-P energy: -134.372 tors. eta vs tors. theta energy: -258.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -3005.835338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.835338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.835338 (E_RNA) where: Base-Base interactions energy: -2168.724 where: short stacking energy: -913.423 Base-Backbone interact. energy: -0.204 local terms energy: -836.907198 where: bonds (distance) C4'-P energy: -135.735 bonds (distance) P-C4' energy: -155.851 flat angles C4'-P-C4' energy: -179.089 flat angles P-C4'-P energy: -128.207 tors. eta vs tors. theta energy: -238.025 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: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2786.300753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.300753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.300753 (E_RNA) where: Base-Base interactions energy: -1952.973 where: short stacking energy: -810.888 Base-Backbone interact. energy: -2.385 local terms energy: -830.942585 where: bonds (distance) C4'-P energy: -146.575 bonds (distance) P-C4' energy: -160.870 flat angles C4'-P-C4' energy: -170.567 flat angles P-C4'-P energy: -122.732 tors. eta vs tors. theta energy: -230.197 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: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2684.312327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.312327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.312327 (E_RNA) where: Base-Base interactions energy: -1904.582 where: short stacking energy: -789.065 Base-Backbone interact. energy: 3.646 local terms energy: -783.375942 where: bonds (distance) C4'-P energy: -151.414 bonds (distance) P-C4' energy: -144.233 flat angles C4'-P-C4' energy: -162.059 flat angles P-C4'-P energy: -115.989 tors. eta vs tors. theta energy: -209.681 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: 5, replica: 8 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2531.041577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.041577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.041577 (E_RNA) where: Base-Base interactions energy: -1806.535 where: short stacking energy: -735.020 Base-Backbone interact. energy: -3.339 local terms energy: -721.167047 where: bonds (distance) C4'-P energy: -132.492 bonds (distance) P-C4' energy: -136.968 flat angles C4'-P-C4' energy: -164.216 flat angles P-C4'-P energy: -96.328 tors. eta vs tors. theta energy: -191.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2515.383682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.383682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.383682 (E_RNA) where: Base-Base interactions energy: -1782.577 where: short stacking energy: -703.672 Base-Backbone interact. energy: 1.234 local terms energy: -734.040481 where: bonds (distance) C4'-P energy: -149.487 bonds (distance) P-C4' energy: -147.615 flat angles C4'-P-C4' energy: -158.930 flat angles P-C4'-P energy: -97.109 tors. eta vs tors. theta energy: -180.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2322.106885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.106885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.106885 (E_RNA) where: Base-Base interactions energy: -1641.203 where: short stacking energy: -691.336 Base-Backbone interact. energy: -3.063 local terms energy: -677.840652 where: bonds (distance) C4'-P energy: -134.323 bonds (distance) P-C4' energy: -144.235 flat angles C4'-P-C4' energy: -151.613 flat angles P-C4'-P energy: -81.614 tors. eta vs tors. theta energy: -166.056 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: 338 Temperature: 1.250000 Total energy: -2029.065889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.065889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.065889 (E_RNA) where: Base-Base interactions energy: -1401.356 where: short stacking energy: -566.471 Base-Backbone interact. energy: -3.088 local terms energy: -624.622056 where: bonds (distance) C4'-P energy: -136.710 bonds (distance) P-C4' energy: -134.667 flat angles C4'-P-C4' energy: -130.023 flat angles P-C4'-P energy: -91.528 tors. eta vs tors. theta energy: -131.695 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: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1851.958678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.958678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.958678 (E_RNA) where: Base-Base interactions energy: -1257.032 where: short stacking energy: -570.446 Base-Backbone interact. energy: -0.558 local terms energy: -594.368801 where: bonds (distance) C4'-P energy: -122.366 bonds (distance) P-C4' energy: -130.769 flat angles C4'-P-C4' energy: -143.918 flat angles P-C4'-P energy: -94.498 tors. eta vs tors. theta energy: -102.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1480.021000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.021000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.021000 (E_RNA) where: Base-Base interactions energy: -979.032 where: short stacking energy: -434.805 Base-Backbone interact. energy: -1.521 local terms energy: -499.468527 where: bonds (distance) C4'-P energy: -128.567 bonds (distance) P-C4' energy: -130.424 flat angles C4'-P-C4' energy: -119.992 flat angles P-C4'-P energy: -61.602 tors. eta vs tors. theta energy: -58.884 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: 339 Temperature: 0.900000 Total energy: -3087.211475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.211475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.211475 (E_RNA) where: Base-Base interactions energy: -2206.885 where: short stacking energy: -929.687 Base-Backbone interact. energy: -5.780 local terms energy: -874.546739 where: bonds (distance) C4'-P energy: -143.478 bonds (distance) P-C4' energy: -163.235 flat angles C4'-P-C4' energy: -183.277 flat angles P-C4'-P energy: -128.929 tors. eta vs tors. theta energy: -255.628 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: 7 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2986.567229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.567229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.567229 (E_RNA) where: Base-Base interactions energy: -2158.398 where: short stacking energy: -886.832 Base-Backbone interact. energy: 0.653 local terms energy: -828.822255 where: bonds (distance) C4'-P energy: -168.412 bonds (distance) P-C4' energy: -145.877 flat angles C4'-P-C4' energy: -176.718 flat angles P-C4'-P energy: -105.291 tors. eta vs tors. theta energy: -232.524 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: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2828.152425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.152425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.152425 (E_RNA) where: Base-Base interactions energy: -2010.950 where: short stacking energy: -830.036 Base-Backbone interact. energy: -3.182 local terms energy: -814.019862 where: bonds (distance) C4'-P energy: -151.516 bonds (distance) P-C4' energy: -153.171 flat angles C4'-P-C4' energy: -182.745 flat angles P-C4'-P energy: -102.717 tors. eta vs tors. theta energy: -223.872 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: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2719.325615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.325615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.325615 (E_RNA) where: Base-Base interactions energy: -1947.671 where: short stacking energy: -801.208 Base-Backbone interact. energy: -1.787 local terms energy: -769.867383 where: bonds (distance) C4'-P energy: -146.534 bonds (distance) P-C4' energy: -138.254 flat angles C4'-P-C4' energy: -163.190 flat angles P-C4'-P energy: -119.618 tors. eta vs tors. theta energy: -202.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2473.991260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.991260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.991260 (E_RNA) where: Base-Base interactions energy: -1757.203 where: short stacking energy: -731.243 Base-Backbone interact. energy: -3.680 local terms energy: -713.108717 where: bonds (distance) C4'-P energy: -128.132 bonds (distance) P-C4' energy: -147.153 flat angles C4'-P-C4' energy: -151.953 flat angles P-C4'-P energy: -108.739 tors. eta vs tors. theta energy: -177.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2507.344804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.344804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.344804 (E_RNA) where: Base-Base interactions energy: -1792.569 where: short stacking energy: -745.631 Base-Backbone interact. energy: -3.709 local terms energy: -711.067067 where: bonds (distance) C4'-P energy: -138.158 bonds (distance) P-C4' energy: -145.781 flat angles C4'-P-C4' energy: -167.694 flat angles P-C4'-P energy: -96.211 tors. eta vs tors. theta energy: -163.222 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: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2317.743552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.743552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.743552 (E_RNA) where: Base-Base interactions energy: -1658.029 where: short stacking energy: -671.407 Base-Backbone interact. energy: 2.874 local terms energy: -662.588490 where: bonds (distance) C4'-P energy: -131.796 bonds (distance) P-C4' energy: -153.817 flat angles C4'-P-C4' energy: -137.523 flat angles P-C4'-P energy: -95.899 tors. eta vs tors. theta energy: -143.554 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: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -2027.955279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.955279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.955279 (E_RNA) where: Base-Base interactions energy: -1413.752 where: short stacking energy: -592.802 Base-Backbone interact. energy: 1.639 local terms energy: -615.842551 where: bonds (distance) C4'-P energy: -113.271 bonds (distance) P-C4' energy: -125.296 flat angles C4'-P-C4' energy: -139.178 flat angles P-C4'-P energy: -104.662 tors. eta vs tors. theta energy: -133.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1805.291976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.291976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.291976 (E_RNA) where: Base-Base interactions energy: -1224.217 where: short stacking energy: -530.495 Base-Backbone interact. energy: 4.062 local terms energy: -585.136724 where: bonds (distance) C4'-P energy: -130.118 bonds (distance) P-C4' energy: -133.652 flat angles C4'-P-C4' energy: -145.107 flat angles P-C4'-P energy: -75.633 tors. eta vs tors. theta energy: -100.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1401.534174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.534174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.534174 (E_RNA) where: Base-Base interactions energy: -934.630 where: short stacking energy: -453.928 Base-Backbone interact. energy: -0.795 local terms energy: -466.109312 where: bonds (distance) C4'-P energy: -127.606 bonds (distance) P-C4' energy: -130.151 flat angles C4'-P-C4' energy: -99.401 flat angles P-C4'-P energy: -44.183 tors. eta vs tors. theta energy: -64.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3023.673374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.673374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.673374 (E_RNA) where: Base-Base interactions energy: -2145.059 where: short stacking energy: -882.343 Base-Backbone interact. energy: -2.684 local terms energy: -875.930246 where: bonds (distance) C4'-P energy: -173.944 bonds (distance) P-C4' energy: -162.108 flat angles C4'-P-C4' energy: -179.046 flat angles P-C4'-P energy: -119.997 tors. eta vs tors. theta energy: -240.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -3014.717694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.717694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.717694 (E_RNA) where: Base-Base interactions energy: -2158.353 where: short stacking energy: -925.292 Base-Backbone interact. energy: -5.751 local terms energy: -850.614302 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -170.896 flat angles C4'-P-C4' energy: -179.112 flat angles P-C4'-P energy: -95.707 tors. eta vs tors. theta energy: -258.061 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: 3, replica: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2828.906256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.906256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.906256 (E_RNA) where: Base-Base interactions energy: -2019.547 where: short stacking energy: -847.387 Base-Backbone interact. energy: -1.780 local terms energy: -807.579363 where: bonds (distance) C4'-P energy: -130.961 bonds (distance) P-C4' energy: -141.792 flat angles C4'-P-C4' energy: -180.839 flat angles P-C4'-P energy: -114.135 tors. eta vs tors. theta energy: -239.852 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: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2706.225077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.225077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.225077 (E_RNA) where: Base-Base interactions energy: -1929.480 where: short stacking energy: -785.537 Base-Backbone interact. energy: -6.359 local terms energy: -770.386119 where: bonds (distance) C4'-P energy: -141.155 bonds (distance) P-C4' energy: -146.683 flat angles C4'-P-C4' energy: -178.803 flat angles P-C4'-P energy: -111.392 tors. eta vs tors. theta energy: -192.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2538.979033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.979033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.979033 (E_RNA) where: Base-Base interactions energy: -1835.562 where: short stacking energy: -768.427 Base-Backbone interact. energy: -0.830 local terms energy: -702.586346 where: bonds (distance) C4'-P energy: -135.215 bonds (distance) P-C4' energy: -115.968 flat angles C4'-P-C4' energy: -161.748 flat angles P-C4'-P energy: -100.947 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: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2447.548569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.548569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.548569 (E_RNA) where: Base-Base interactions energy: -1758.640 where: short stacking energy: -752.743 Base-Backbone interact. energy: -0.642 local terms energy: -688.266776 where: bonds (distance) C4'-P energy: -118.634 bonds (distance) P-C4' energy: -128.040 flat angles C4'-P-C4' energy: -160.392 flat angles P-C4'-P energy: -95.783 tors. eta vs tors. theta energy: -185.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2269.552335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.552335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.552335 (E_RNA) where: Base-Base interactions energy: -1603.716 where: short stacking energy: -665.182 Base-Backbone interact. energy: -2.526 local terms energy: -663.309857 where: bonds (distance) C4'-P energy: -119.592 bonds (distance) P-C4' energy: -124.094 flat angles C4'-P-C4' energy: -160.446 flat angles P-C4'-P energy: -89.390 tors. eta vs tors. theta energy: -169.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -2063.550347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.550347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.550347 (E_RNA) where: Base-Base interactions energy: -1436.465 where: short stacking energy: -633.778 Base-Backbone interact. energy: 1.201 local terms energy: -628.287038 where: bonds (distance) C4'-P energy: -116.981 bonds (distance) P-C4' energy: -120.263 flat angles C4'-P-C4' energy: -154.612 flat angles P-C4'-P energy: -87.756 tors. eta vs tors. theta energy: -148.675 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: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1815.516472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.516472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.516472 (E_RNA) where: Base-Base interactions energy: -1254.761 where: short stacking energy: -540.295 Base-Backbone interact. energy: -0.430 local terms energy: -560.324911 where: bonds (distance) C4'-P energy: -120.974 bonds (distance) P-C4' energy: -109.937 flat angles C4'-P-C4' energy: -130.875 flat angles P-C4'-P energy: -90.649 tors. eta vs tors. theta energy: -107.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1454.817876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.817876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.817876 (E_RNA) where: Base-Base interactions energy: -959.866 where: short stacking energy: -441.870 Base-Backbone interact. energy: -2.753 local terms energy: -492.198163 where: bonds (distance) C4'-P energy: -116.634 bonds (distance) P-C4' energy: -131.526 flat angles C4'-P-C4' energy: -92.830 flat angles P-C4'-P energy: -92.849 tors. eta vs tors. theta energy: -58.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3022.475801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.475801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.475801 (E_RNA) where: Base-Base interactions energy: -2167.370 where: short stacking energy: -894.588 Base-Backbone interact. energy: -1.750 local terms energy: -853.355665 where: bonds (distance) C4'-P energy: -158.193 bonds (distance) P-C4' energy: -162.254 flat angles C4'-P-C4' energy: -178.535 flat angles P-C4'-P energy: -116.914 tors. eta vs tors. theta energy: -237.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -3054.737509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.737509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.737509 (E_RNA) where: Base-Base interactions energy: -2171.264 where: short stacking energy: -908.309 Base-Backbone interact. energy: -6.143 local terms energy: -877.330581 where: bonds (distance) C4'-P energy: -143.333 bonds (distance) P-C4' energy: -167.555 flat angles C4'-P-C4' energy: -189.618 flat angles P-C4'-P energy: -125.454 tors. eta vs tors. theta energy: -251.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2794.512054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.512054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.512054 (E_RNA) where: Base-Base interactions energy: -1966.177 where: short stacking energy: -827.698 Base-Backbone interact. energy: -2.967 local terms energy: -825.368502 where: bonds (distance) C4'-P energy: -146.055 bonds (distance) P-C4' energy: -153.199 flat angles C4'-P-C4' energy: -163.307 flat angles P-C4'-P energy: -130.747 tors. eta vs tors. theta energy: -232.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2743.950653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.950653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.950653 (E_RNA) where: Base-Base interactions energy: -1963.908 where: short stacking energy: -798.886 Base-Backbone interact. energy: -0.001 local terms energy: -780.041542 where: bonds (distance) C4'-P energy: -150.058 bonds (distance) P-C4' energy: -126.557 flat angles C4'-P-C4' energy: -178.011 flat angles P-C4'-P energy: -108.202 tors. eta vs tors. theta energy: -217.213 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: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2565.246507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.246507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.246507 (E_RNA) where: Base-Base interactions energy: -1823.399 where: short stacking energy: -749.216 Base-Backbone interact. energy: -1.843 local terms energy: -740.004504 where: bonds (distance) C4'-P energy: -134.744 bonds (distance) P-C4' energy: -146.520 flat angles C4'-P-C4' energy: -163.802 flat angles P-C4'-P energy: -101.713 tors. eta vs tors. theta energy: -193.226 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: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2432.008971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.008971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.008971 (E_RNA) where: Base-Base interactions energy: -1732.741 where: short stacking energy: -720.476 Base-Backbone interact. energy: 4.512 local terms energy: -703.780146 where: bonds (distance) C4'-P energy: -152.710 bonds (distance) P-C4' energy: -136.405 flat angles C4'-P-C4' energy: -154.216 flat angles P-C4'-P energy: -83.131 tors. eta vs tors. theta energy: -177.318 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: 2 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2280.959471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.959471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.959471 (E_RNA) where: Base-Base interactions energy: -1618.701 where: short stacking energy: -665.870 Base-Backbone interact. energy: 4.647 local terms energy: -666.905668 where: bonds (distance) C4'-P energy: -126.798 bonds (distance) P-C4' energy: -141.692 flat angles C4'-P-C4' energy: -154.099 flat angles P-C4'-P energy: -79.396 tors. eta vs tors. theta energy: -164.920 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: 8, replica: 9 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -2088.063920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.063920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.063920 (E_RNA) where: Base-Base interactions energy: -1462.075 where: short stacking energy: -641.261 Base-Backbone interact. energy: -0.385 local terms energy: -625.603882 where: bonds (distance) C4'-P energy: -128.510 bonds (distance) P-C4' energy: -132.641 flat angles C4'-P-C4' energy: -141.184 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -139.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1857.996888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.996888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.996888 (E_RNA) where: Base-Base interactions energy: -1262.420 where: short stacking energy: -520.048 Base-Backbone interact. energy: -0.319 local terms energy: -595.257789 where: bonds (distance) C4'-P energy: -147.371 bonds (distance) P-C4' energy: -126.566 flat angles C4'-P-C4' energy: -141.384 flat angles P-C4'-P energy: -73.522 tors. eta vs tors. theta energy: -106.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1470.514476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.514476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.514476 (E_RNA) where: Base-Base interactions energy: -973.484 where: short stacking energy: -434.239 Base-Backbone interact. energy: 2.601 local terms energy: -499.631227 where: bonds (distance) C4'-P energy: -132.135 bonds (distance) P-C4' energy: -105.573 flat angles C4'-P-C4' energy: -122.861 flat angles P-C4'-P energy: -83.241 tors. eta vs tors. theta energy: -55.821 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: 1 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3080.841376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.841376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.841376 (E_RNA) where: Base-Base interactions energy: -2197.812 where: short stacking energy: -923.690 Base-Backbone interact. energy: -1.805 local terms energy: -881.225177 where: bonds (distance) C4'-P energy: -147.887 bonds (distance) P-C4' energy: -162.358 flat angles C4'-P-C4' energy: -184.094 flat angles P-C4'-P energy: -140.039 tors. eta vs tors. theta energy: -246.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2975.963360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.963360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.963360 (E_RNA) where: Base-Base interactions energy: -2146.598 where: short stacking energy: -884.654 Base-Backbone interact. energy: -4.076 local terms energy: -825.289322 where: bonds (distance) C4'-P energy: -143.389 bonds (distance) P-C4' energy: -145.445 flat angles C4'-P-C4' energy: -182.365 flat angles P-C4'-P energy: -116.179 tors. eta vs tors. theta energy: -237.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2812.126437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.126437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.126437 (E_RNA) where: Base-Base interactions energy: -1989.719 where: short stacking energy: -846.314 Base-Backbone interact. energy: -2.955 local terms energy: -819.452945 where: bonds (distance) C4'-P energy: -129.554 bonds (distance) P-C4' energy: -157.302 flat angles C4'-P-C4' energy: -178.578 flat angles P-C4'-P energy: -128.965 tors. eta vs tors. theta energy: -225.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2727.457661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.457661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.457661 (E_RNA) where: Base-Base interactions energy: -1949.310 where: short stacking energy: -832.145 Base-Backbone interact. energy: 1.940 local terms energy: -780.087989 where: bonds (distance) C4'-P energy: -149.272 bonds (distance) P-C4' energy: -149.258 flat angles C4'-P-C4' energy: -174.931 flat angles P-C4'-P energy: -87.879 tors. eta vs tors. theta energy: -218.748 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: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2566.059937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.059937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.059937 (E_RNA) where: Base-Base interactions energy: -1832.591 where: short stacking energy: -767.130 Base-Backbone interact. energy: -1.913 local terms energy: -731.556534 where: bonds (distance) C4'-P energy: -123.548 bonds (distance) P-C4' energy: -166.254 flat angles C4'-P-C4' energy: -154.775 flat angles P-C4'-P energy: -93.340 tors. eta vs tors. theta energy: -193.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2498.488364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.488364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.488364 (E_RNA) where: Base-Base interactions energy: -1788.521 where: short stacking energy: -767.376 Base-Backbone interact. energy: 0.126 local terms energy: -710.093682 where: bonds (distance) C4'-P energy: -124.189 bonds (distance) P-C4' energy: -140.779 flat angles C4'-P-C4' energy: -158.376 flat angles P-C4'-P energy: -90.716 tors. eta vs tors. theta energy: -196.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2261.117750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.117750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.117750 (E_RNA) where: Base-Base interactions energy: -1644.648 where: short stacking energy: -694.215 Base-Backbone interact. energy: 0.360 local terms energy: -616.830417 where: bonds (distance) C4'-P energy: -117.624 bonds (distance) P-C4' energy: -113.119 flat angles C4'-P-C4' energy: -152.701 flat angles P-C4'-P energy: -76.395 tors. eta vs tors. theta energy: -156.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -2069.854135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.854135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.854135 (E_RNA) where: Base-Base interactions energy: -1431.540 where: short stacking energy: -618.979 Base-Backbone interact. energy: 2.467 local terms energy: -640.781633 where: bonds (distance) C4'-P energy: -114.180 bonds (distance) P-C4' energy: -122.103 flat angles C4'-P-C4' energy: -145.035 flat angles P-C4'-P energy: -109.104 tors. eta vs tors. theta energy: -150.359 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: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1869.567190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.567190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.567190 (E_RNA) where: Base-Base interactions energy: -1310.199 where: short stacking energy: -556.189 Base-Backbone interact. energy: -2.814 local terms energy: -556.554584 where: bonds (distance) C4'-P energy: -113.524 bonds (distance) P-C4' energy: -100.081 flat angles C4'-P-C4' energy: -148.598 flat angles P-C4'-P energy: -84.521 tors. eta vs tors. theta energy: -109.830 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: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1501.970104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.970104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.970104 (E_RNA) where: Base-Base interactions energy: -992.473 where: short stacking energy: -444.190 Base-Backbone interact. energy: 0.135 local terms energy: -509.632120 where: bonds (distance) C4'-P energy: -93.567 bonds (distance) P-C4' energy: -137.964 flat angles C4'-P-C4' energy: -110.987 flat angles P-C4'-P energy: -69.730 tors. eta vs tors. theta energy: -97.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3085.591627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.591627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.591627 (E_RNA) where: Base-Base interactions energy: -2192.461 where: short stacking energy: -926.842 Base-Backbone interact. energy: -3.587 local terms energy: -889.543972 where: bonds (distance) C4'-P energy: -165.246 bonds (distance) P-C4' energy: -161.053 flat angles C4'-P-C4' energy: -183.547 flat angles P-C4'-P energy: -122.231 tors. eta vs tors. theta energy: -257.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2974.241169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.241169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.241169 (E_RNA) where: Base-Base interactions energy: -2125.410 where: short stacking energy: -877.988 Base-Backbone interact. energy: -0.876 local terms energy: -847.955799 where: bonds (distance) C4'-P energy: -159.870 bonds (distance) P-C4' energy: -164.166 flat angles C4'-P-C4' energy: -174.757 flat angles P-C4'-P energy: -109.984 tors. eta vs tors. theta energy: -239.178 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: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2806.669313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.669313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.669313 (E_RNA) where: Base-Base interactions energy: -2033.606 where: short stacking energy: -867.466 Base-Backbone interact. energy: -0.559 local terms energy: -772.505054 where: bonds (distance) C4'-P energy: -137.272 bonds (distance) P-C4' energy: -144.507 flat angles C4'-P-C4' energy: -180.268 flat angles P-C4'-P energy: -94.388 tors. eta vs tors. theta energy: -216.071 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: 343 Temperature: 1.050000 Total energy: -2635.987279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.987279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.987279 (E_RNA) where: Base-Base interactions energy: -1863.862 where: short stacking energy: -748.578 Base-Backbone interact. energy: -0.866 local terms energy: -771.260165 where: bonds (distance) C4'-P energy: -151.898 bonds (distance) P-C4' energy: -150.264 flat angles C4'-P-C4' energy: -156.083 flat angles P-C4'-P energy: -110.375 tors. eta vs tors. theta energy: -202.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2655.884709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.884709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.884709 (E_RNA) where: Base-Base interactions energy: -1908.573 where: short stacking energy: -800.000 Base-Backbone interact. energy: -4.741 local terms energy: -742.571114 where: bonds (distance) C4'-P energy: -140.638 bonds (distance) P-C4' energy: -121.591 flat angles C4'-P-C4' energy: -173.924 flat angles P-C4'-P energy: -109.716 tors. eta vs tors. theta energy: -196.702 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: 8 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2533.637450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.637450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.637450 (E_RNA) where: Base-Base interactions energy: -1819.001 where: short stacking energy: -764.863 Base-Backbone interact. energy: 1.448 local terms energy: -716.084586 where: bonds (distance) C4'-P energy: -127.481 bonds (distance) P-C4' energy: -133.562 flat angles C4'-P-C4' energy: -160.124 flat angles P-C4'-P energy: -106.742 tors. eta vs tors. theta energy: -188.175 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: 2 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2268.346631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.346631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.346631 (E_RNA) where: Base-Base interactions energy: -1590.270 where: short stacking energy: -690.900 Base-Backbone interact. energy: -0.886 local terms energy: -677.190353 where: bonds (distance) C4'-P energy: -116.552 bonds (distance) P-C4' energy: -143.753 flat angles C4'-P-C4' energy: -160.510 flat angles P-C4'-P energy: -87.895 tors. eta vs tors. theta energy: -168.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1981.751602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.751602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.751602 (E_RNA) where: Base-Base interactions energy: -1367.112 where: short stacking energy: -592.731 Base-Backbone interact. energy: -1.486 local terms energy: -613.153758 where: bonds (distance) C4'-P energy: -118.633 bonds (distance) P-C4' energy: -137.041 flat angles C4'-P-C4' energy: -155.056 flat angles P-C4'-P energy: -81.688 tors. eta vs tors. theta energy: -120.736 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: 9, replica: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1823.442043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.442043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.442043 (E_RNA) where: Base-Base interactions energy: -1247.979 where: short stacking energy: -486.497 Base-Backbone interact. energy: -3.754 local terms energy: -571.709304 where: bonds (distance) C4'-P energy: -132.216 bonds (distance) P-C4' energy: -125.341 flat angles C4'-P-C4' energy: -129.191 flat angles P-C4'-P energy: -92.501 tors. eta vs tors. theta energy: -92.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1501.389575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.389575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.389575 (E_RNA) where: Base-Base interactions energy: -947.886 where: short stacking energy: -413.224 Base-Backbone interact. energy: -1.231 local terms energy: -552.272698 where: bonds (distance) C4'-P energy: -125.886 bonds (distance) P-C4' energy: -148.567 flat angles C4'-P-C4' energy: -120.726 flat angles P-C4'-P energy: -66.735 tors. eta vs tors. theta energy: -90.359 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: 1, replica: 1 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3105.972609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.972609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.972609 (E_RNA) where: Base-Base interactions energy: -2206.906 where: short stacking energy: -920.998 Base-Backbone interact. energy: -0.671 local terms energy: -898.395488 where: bonds (distance) C4'-P energy: -145.864 bonds (distance) P-C4' energy: -171.808 flat angles C4'-P-C4' energy: -194.950 flat angles P-C4'-P energy: -126.866 tors. eta vs tors. theta energy: -258.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2947.110439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.110439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.110439 (E_RNA) where: Base-Base interactions energy: -2107.446 where: short stacking energy: -913.294 Base-Backbone interact. energy: -5.300 local terms energy: -834.364306 where: bonds (distance) C4'-P energy: -151.152 bonds (distance) P-C4' energy: -153.974 flat angles C4'-P-C4' energy: -190.297 flat angles P-C4'-P energy: -102.515 tors. eta vs tors. theta energy: -236.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2845.607554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.607554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.607554 (E_RNA) where: Base-Base interactions energy: -2016.317 where: short stacking energy: -846.884 Base-Backbone interact. energy: 1.764 local terms energy: -831.054090 where: bonds (distance) C4'-P energy: -161.964 bonds (distance) P-C4' energy: -129.092 flat angles C4'-P-C4' energy: -187.954 flat angles P-C4'-P energy: -122.806 tors. eta vs tors. theta energy: -229.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2656.840490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.840490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.840490 (E_RNA) where: Base-Base interactions energy: -1863.255 where: short stacking energy: -776.758 Base-Backbone interact. energy: -1.503 local terms energy: -792.082801 where: bonds (distance) C4'-P energy: -138.375 bonds (distance) P-C4' energy: -146.717 flat angles C4'-P-C4' energy: -176.978 flat angles P-C4'-P energy: -118.239 tors. eta vs tors. theta energy: -211.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2688.815412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.815412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.815412 (E_RNA) where: Base-Base interactions energy: -1925.075 where: short stacking energy: -822.197 Base-Backbone interact. energy: -4.291 local terms energy: -759.449010 where: bonds (distance) C4'-P energy: -134.130 bonds (distance) P-C4' energy: -139.992 flat angles C4'-P-C4' energy: -171.928 flat angles P-C4'-P energy: -102.368 tors. eta vs tors. theta energy: -211.031 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: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2435.474176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.474176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.474176 (E_RNA) where: Base-Base interactions energy: -1737.818 where: short stacking energy: -728.176 Base-Backbone interact. energy: -2.542 local terms energy: -695.113514 where: bonds (distance) C4'-P energy: -115.524 bonds (distance) P-C4' energy: -147.560 flat angles C4'-P-C4' energy: -153.905 flat angles P-C4'-P energy: -92.089 tors. eta vs tors. theta energy: -186.036 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: 7, replica: 2 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2326.557182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.557182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.557182 (E_RNA) where: Base-Base interactions energy: -1635.195 where: short stacking energy: -690.203 Base-Backbone interact. energy: -3.384 local terms energy: -687.977813 where: bonds (distance) C4'-P energy: -136.062 bonds (distance) P-C4' energy: -138.832 flat angles C4'-P-C4' energy: -136.774 flat angles P-C4'-P energy: -105.925 tors. eta vs tors. theta energy: -170.385 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: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1979.881344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.881344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.881344 (E_RNA) where: Base-Base interactions energy: -1374.256 where: short stacking energy: -580.623 Base-Backbone interact. energy: -1.446 local terms energy: -604.179216 where: bonds (distance) C4'-P energy: -114.701 bonds (distance) P-C4' energy: -141.303 flat angles C4'-P-C4' energy: -152.718 flat angles P-C4'-P energy: -74.778 tors. eta vs tors. theta energy: -120.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1834.039971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.039971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.039971 (E_RNA) where: Base-Base interactions energy: -1278.168 where: short stacking energy: -562.325 Base-Backbone interact. energy: -0.706 local terms energy: -555.166336 where: bonds (distance) C4'-P energy: -128.150 bonds (distance) P-C4' energy: -106.666 flat angles C4'-P-C4' energy: -117.300 flat angles P-C4'-P energy: -93.723 tors. eta vs tors. theta energy: -109.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1552.531608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.531608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.531608 (E_RNA) where: Base-Base interactions energy: -1000.360 where: short stacking energy: -478.733 Base-Backbone interact. energy: -0.482 local terms energy: -551.689499 where: bonds (distance) C4'-P energy: -139.544 bonds (distance) P-C4' energy: -111.356 flat angles C4'-P-C4' energy: -131.777 flat angles P-C4'-P energy: -83.682 tors. eta vs tors. theta energy: -85.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3077.163157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.163157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.163157 (E_RNA) where: Base-Base interactions energy: -2196.127 where: short stacking energy: -911.193 Base-Backbone interact. energy: -4.368 local terms energy: -876.668448 where: bonds (distance) C4'-P energy: -158.948 bonds (distance) P-C4' energy: -152.852 flat angles C4'-P-C4' energy: -184.598 flat angles P-C4'-P energy: -125.201 tors. eta vs tors. theta energy: -255.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2987.827946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.827946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.827946 (E_RNA) where: Base-Base interactions energy: -2127.430 where: short stacking energy: -889.816 Base-Backbone interact. energy: -4.071 local terms energy: -856.326180 where: bonds (distance) C4'-P energy: -149.690 bonds (distance) P-C4' energy: -167.177 flat angles C4'-P-C4' energy: -178.620 flat angles P-C4'-P energy: -118.762 tors. eta vs tors. theta energy: -242.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2823.444905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.444905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.444905 (E_RNA) where: Base-Base interactions energy: -1979.448 where: short stacking energy: -826.269 Base-Backbone interact. energy: -4.225 local terms energy: -839.772449 where: bonds (distance) C4'-P energy: -150.443 bonds (distance) P-C4' energy: -160.461 flat angles C4'-P-C4' energy: -176.192 flat angles P-C4'-P energy: -129.528 tors. eta vs tors. theta energy: -223.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2723.495291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.495291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.495291 (E_RNA) where: Base-Base interactions energy: -1973.131 where: short stacking energy: -821.664 Base-Backbone interact. energy: -0.331 local terms energy: -750.032842 where: bonds (distance) C4'-P energy: -137.225 bonds (distance) P-C4' energy: -138.694 flat angles C4'-P-C4' energy: -168.740 flat angles P-C4'-P energy: -105.708 tors. eta vs tors. theta energy: -199.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2575.477977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.477977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.477977 (E_RNA) where: Base-Base interactions energy: -1820.789 where: short stacking energy: -759.519 Base-Backbone interact. energy: -6.854 local terms energy: -747.835441 where: bonds (distance) C4'-P energy: -125.051 bonds (distance) P-C4' energy: -141.937 flat angles C4'-P-C4' energy: -173.650 flat angles P-C4'-P energy: -106.525 tors. eta vs tors. theta energy: -200.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2471.828895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.828895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.828895 (E_RNA) where: Base-Base interactions energy: -1774.150 where: short stacking energy: -736.269 Base-Backbone interact. energy: 1.895 local terms energy: -699.573691 where: bonds (distance) C4'-P energy: -125.617 bonds (distance) P-C4' energy: -128.927 flat angles C4'-P-C4' energy: -158.376 flat angles P-C4'-P energy: -105.241 tors. eta vs tors. theta energy: -181.413 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: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2360.541276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.541276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.541276 (E_RNA) where: Base-Base interactions energy: -1681.603 where: short stacking energy: -732.743 Base-Backbone interact. energy: -0.586 local terms energy: -678.352911 where: bonds (distance) C4'-P energy: -108.104 bonds (distance) P-C4' energy: -156.622 flat angles C4'-P-C4' energy: -141.496 flat angles P-C4'-P energy: -85.609 tors. eta vs tors. theta energy: -186.522 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: 345 Temperature: 1.250000 Total energy: -1993.394615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.394615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.394615 (E_RNA) where: Base-Base interactions energy: -1375.075 where: short stacking energy: -568.200 Base-Backbone interact. energy: 0.212 local terms energy: -618.531916 where: bonds (distance) C4'-P energy: -134.387 bonds (distance) P-C4' energy: -131.192 flat angles C4'-P-C4' energy: -152.720 flat angles P-C4'-P energy: -93.471 tors. eta vs tors. theta energy: -106.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1829.020650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.020650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.020650 (E_RNA) where: Base-Base interactions energy: -1213.459 where: short stacking energy: -516.256 Base-Backbone interact. energy: -3.555 local terms energy: -612.006601 where: bonds (distance) C4'-P energy: -127.542 bonds (distance) P-C4' energy: -137.218 flat angles C4'-P-C4' energy: -146.049 flat angles P-C4'-P energy: -87.364 tors. eta vs tors. theta energy: -113.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1545.225114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.225114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.225114 (E_RNA) where: Base-Base interactions energy: -1014.291 where: short stacking energy: -458.983 Base-Backbone interact. energy: -0.971 local terms energy: -529.963734 where: bonds (distance) C4'-P energy: -127.413 bonds (distance) P-C4' energy: -139.785 flat angles C4'-P-C4' energy: -118.295 flat angles P-C4'-P energy: -82.050 tors. eta vs tors. theta energy: -62.420 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: 1, replica: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3051.153083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.153083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.153083 (E_RNA) where: Base-Base interactions energy: -2152.592 where: short stacking energy: -916.497 Base-Backbone interact. energy: -3.658 local terms energy: -894.903810 where: bonds (distance) C4'-P energy: -158.636 bonds (distance) P-C4' energy: -161.050 flat angles C4'-P-C4' energy: -177.541 flat angles P-C4'-P energy: -133.819 tors. eta vs tors. theta energy: -263.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2991.011260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.011260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.011260 (E_RNA) where: Base-Base interactions energy: -2115.446 where: short stacking energy: -886.678 Base-Backbone interact. energy: -5.134 local terms energy: -870.431669 where: bonds (distance) C4'-P energy: -160.356 bonds (distance) P-C4' energy: -156.645 flat angles C4'-P-C4' energy: -187.500 flat angles P-C4'-P energy: -123.702 tors. eta vs tors. theta energy: -242.229 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: 346 Temperature: 1.000000 Total energy: -2857.262363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.262363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.262363 (E_RNA) where: Base-Base interactions energy: -2006.031 where: short stacking energy: -856.348 Base-Backbone interact. energy: -3.007 local terms energy: -848.224026 where: bonds (distance) C4'-P energy: -147.975 bonds (distance) P-C4' energy: -149.610 flat angles C4'-P-C4' energy: -197.418 flat angles P-C4'-P energy: -118.203 tors. eta vs tors. theta energy: -235.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2740.854655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.854655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.854655 (E_RNA) where: Base-Base interactions energy: -1955.001 where: short stacking energy: -838.775 Base-Backbone interact. energy: -4.250 local terms energy: -781.603925 where: bonds (distance) C4'-P energy: -139.703 bonds (distance) P-C4' energy: -127.510 flat angles C4'-P-C4' energy: -173.820 flat angles P-C4'-P energy: -118.279 tors. eta vs tors. theta energy: -222.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2593.419625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.419625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.419625 (E_RNA) where: Base-Base interactions energy: -1819.330 where: short stacking energy: -770.636 Base-Backbone interact. energy: -2.962 local terms energy: -771.127066 where: bonds (distance) C4'-P energy: -134.495 bonds (distance) P-C4' energy: -131.553 flat angles C4'-P-C4' energy: -175.955 flat angles P-C4'-P energy: -115.455 tors. eta vs tors. theta energy: -213.669 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: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2425.686593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.686593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.686593 (E_RNA) where: Base-Base interactions energy: -1733.368 where: short stacking energy: -726.302 Base-Backbone interact. energy: 3.179 local terms energy: -695.497332 where: bonds (distance) C4'-P energy: -130.753 bonds (distance) P-C4' energy: -122.413 flat angles C4'-P-C4' energy: -161.242 flat angles P-C4'-P energy: -99.890 tors. eta vs tors. theta energy: -181.199 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: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2322.477406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.477406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.477406 (E_RNA) where: Base-Base interactions energy: -1632.669 where: short stacking energy: -682.255 Base-Backbone interact. energy: -3.921 local terms energy: -685.887182 where: bonds (distance) C4'-P energy: -131.101 bonds (distance) P-C4' energy: -143.479 flat angles C4'-P-C4' energy: -159.691 flat angles P-C4'-P energy: -90.791 tors. eta vs tors. theta energy: -160.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1942.351044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.351044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.351044 (E_RNA) where: Base-Base interactions energy: -1337.164 where: short stacking energy: -592.900 Base-Backbone interact. energy: -0.847 local terms energy: -604.340027 where: bonds (distance) C4'-P energy: -125.944 bonds (distance) P-C4' energy: -131.770 flat angles C4'-P-C4' energy: -131.714 flat angles P-C4'-P energy: -95.955 tors. eta vs tors. theta energy: -118.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1850.830673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.830673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.830673 (E_RNA) where: Base-Base interactions energy: -1238.020 where: short stacking energy: -556.283 Base-Backbone interact. energy: -1.678 local terms energy: -611.132285 where: bonds (distance) C4'-P energy: -140.451 bonds (distance) P-C4' energy: -115.297 flat angles C4'-P-C4' energy: -146.210 flat angles P-C4'-P energy: -96.453 tors. eta vs tors. theta energy: -112.722 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: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1600.793680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.793680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.793680 (E_RNA) where: Base-Base interactions energy: -1055.253 where: short stacking energy: -491.201 Base-Backbone interact. energy: -3.348 local terms energy: -542.192735 where: bonds (distance) C4'-P energy: -100.131 bonds (distance) P-C4' energy: -117.839 flat angles C4'-P-C4' energy: -141.486 flat angles P-C4'-P energy: -86.872 tors. eta vs tors. theta energy: -95.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3079.914471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.914471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.914471 (E_RNA) where: Base-Base interactions energy: -2198.699 where: short stacking energy: -925.118 Base-Backbone interact. energy: -2.350 local terms energy: -878.865343 where: bonds (distance) C4'-P energy: -167.188 bonds (distance) P-C4' energy: -150.291 flat angles C4'-P-C4' energy: -192.447 flat angles P-C4'-P energy: -109.465 tors. eta vs tors. theta energy: -259.475 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: 7 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -3001.524599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.524599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.524599 (E_RNA) where: Base-Base interactions energy: -2128.630 where: short stacking energy: -894.981 Base-Backbone interact. energy: -3.579 local terms energy: -869.315655 where: bonds (distance) C4'-P energy: -155.205 bonds (distance) P-C4' energy: -168.600 flat angles C4'-P-C4' energy: -176.462 flat angles P-C4'-P energy: -126.713 tors. eta vs tors. theta energy: -242.336 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: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2865.503895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.503895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.503895 (E_RNA) where: Base-Base interactions energy: -2042.152 where: short stacking energy: -843.096 Base-Backbone interact. energy: -4.058 local terms energy: -819.293562 where: bonds (distance) C4'-P energy: -153.900 bonds (distance) P-C4' energy: -148.635 flat angles C4'-P-C4' energy: -185.790 flat angles P-C4'-P energy: -96.766 tors. eta vs tors. theta energy: -234.203 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: 347 Temperature: 1.050000 Total energy: -2623.781533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.781533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.781533 (E_RNA) where: Base-Base interactions energy: -1835.863 where: short stacking energy: -775.540 Base-Backbone interact. energy: -3.243 local terms energy: -784.675204 where: bonds (distance) C4'-P energy: -155.028 bonds (distance) P-C4' energy: -145.550 flat angles C4'-P-C4' energy: -167.943 flat angles P-C4'-P energy: -115.067 tors. eta vs tors. theta energy: -201.087 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: 10 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2653.345943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.345943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.345943 (E_RNA) where: Base-Base interactions energy: -1902.926 where: short stacking energy: -788.897 Base-Backbone interact. energy: -0.962 local terms energy: -749.457089 where: bonds (distance) C4'-P energy: -136.090 bonds (distance) P-C4' energy: -128.257 flat angles C4'-P-C4' energy: -177.500 flat angles P-C4'-P energy: -111.335 tors. eta vs tors. theta energy: -196.274 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: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2472.105175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.105175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.105175 (E_RNA) where: Base-Base interactions energy: -1782.443 where: short stacking energy: -734.435 Base-Backbone interact. energy: 2.618 local terms energy: -692.280460 where: bonds (distance) C4'-P energy: -127.332 bonds (distance) P-C4' energy: -134.215 flat angles C4'-P-C4' energy: -147.085 flat angles P-C4'-P energy: -103.887 tors. eta vs tors. theta energy: -179.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2307.986576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.986576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.986576 (E_RNA) where: Base-Base interactions energy: -1615.530 where: short stacking energy: -669.227 Base-Backbone interact. energy: 1.635 local terms energy: -694.091595 where: bonds (distance) C4'-P energy: -139.524 bonds (distance) P-C4' energy: -132.605 flat angles C4'-P-C4' energy: -155.787 flat angles P-C4'-P energy: -100.036 tors. eta vs tors. theta energy: -166.140 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: 347 Temperature: 1.250000 Total energy: -2029.388056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.388056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.388056 (E_RNA) where: Base-Base interactions energy: -1385.788 where: short stacking energy: -621.961 Base-Backbone interact. energy: -3.059 local terms energy: -640.540391 where: bonds (distance) C4'-P energy: -135.346 bonds (distance) P-C4' energy: -127.526 flat angles C4'-P-C4' energy: -157.227 flat angles P-C4'-P energy: -85.593 tors. eta vs tors. theta energy: -134.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1787.440393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.440393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.440393 (E_RNA) where: Base-Base interactions energy: -1224.018 where: short stacking energy: -550.443 Base-Backbone interact. energy: 0.376 local terms energy: -563.798900 where: bonds (distance) C4'-P energy: -131.461 bonds (distance) P-C4' energy: -118.657 flat angles C4'-P-C4' energy: -127.268 flat angles P-C4'-P energy: -76.709 tors. eta vs tors. theta energy: -109.704 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: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1685.460910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.460910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.460910 (E_RNA) where: Base-Base interactions energy: -1104.438 where: short stacking energy: -526.812 Base-Backbone interact. energy: -0.016 local terms energy: -581.006501 where: bonds (distance) C4'-P energy: -125.896 bonds (distance) P-C4' energy: -117.100 flat angles C4'-P-C4' energy: -133.926 flat angles P-C4'-P energy: -86.101 tors. eta vs tors. theta energy: -117.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3088.749097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.749097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.749097 (E_RNA) where: Base-Base interactions energy: -2170.106 where: short stacking energy: -931.502 Base-Backbone interact. energy: -6.406 local terms energy: -912.236399 where: bonds (distance) C4'-P energy: -166.522 bonds (distance) P-C4' energy: -167.379 flat angles C4'-P-C4' energy: -184.457 flat angles P-C4'-P energy: -134.989 tors. eta vs tors. theta energy: -258.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2986.860994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.860994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.860994 (E_RNA) where: Base-Base interactions energy: -2123.138 where: short stacking energy: -933.002 Base-Backbone interact. energy: -1.021 local terms energy: -862.702561 where: bonds (distance) C4'-P energy: -149.093 bonds (distance) P-C4' energy: -144.740 flat angles C4'-P-C4' energy: -176.365 flat angles P-C4'-P energy: -133.132 tors. eta vs tors. theta energy: -259.372 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: 3, replica: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2894.867681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.867681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.867681 (E_RNA) where: Base-Base interactions energy: -2050.523 where: short stacking energy: -865.809 Base-Backbone interact. energy: -3.037 local terms energy: -841.307554 where: bonds (distance) C4'-P energy: -136.263 bonds (distance) P-C4' energy: -160.444 flat angles C4'-P-C4' energy: -184.515 flat angles P-C4'-P energy: -128.180 tors. eta vs tors. theta energy: -231.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2651.956221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.956221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.956221 (E_RNA) where: Base-Base interactions energy: -1860.711 where: short stacking energy: -784.349 Base-Backbone interact. energy: -2.881 local terms energy: -788.363969 where: bonds (distance) C4'-P energy: -152.554 bonds (distance) P-C4' energy: -141.772 flat angles C4'-P-C4' energy: -173.341 flat angles P-C4'-P energy: -104.314 tors. eta vs tors. theta energy: -216.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2629.755264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.755264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.755264 (E_RNA) where: Base-Base interactions energy: -1879.581 where: short stacking energy: -785.635 Base-Backbone interact. energy: -1.130 local terms energy: -749.044477 where: bonds (distance) C4'-P energy: -131.435 bonds (distance) P-C4' energy: -143.263 flat angles C4'-P-C4' energy: -162.716 flat angles P-C4'-P energy: -109.771 tors. eta vs tors. theta energy: -201.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2448.685241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.685241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.685241 (E_RNA) where: Base-Base interactions energy: -1725.073 where: short stacking energy: -723.243 Base-Backbone interact. energy: -2.776 local terms energy: -720.836463 where: bonds (distance) C4'-P energy: -136.177 bonds (distance) P-C4' energy: -149.355 flat angles C4'-P-C4' energy: -151.628 flat angles P-C4'-P energy: -99.753 tors. eta vs tors. theta energy: -183.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2283.315869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.315869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.315869 (E_RNA) where: Base-Base interactions energy: -1606.278 where: short stacking energy: -675.724 Base-Backbone interact. energy: -2.250 local terms energy: -674.787944 where: bonds (distance) C4'-P energy: -139.801 bonds (distance) P-C4' energy: -126.114 flat angles C4'-P-C4' energy: -151.797 flat angles P-C4'-P energy: -97.442 tors. eta vs tors. theta energy: -159.635 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: 348 Temperature: 1.250000 Total energy: -2006.534207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.534207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.534207 (E_RNA) where: Base-Base interactions energy: -1367.922 where: short stacking energy: -631.336 Base-Backbone interact. energy: -4.222 local terms energy: -634.389743 where: bonds (distance) C4'-P energy: -118.632 bonds (distance) P-C4' energy: -135.996 flat angles C4'-P-C4' energy: -152.165 flat angles P-C4'-P energy: -85.847 tors. eta vs tors. theta energy: -141.749 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: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1872.593185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.593185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.593185 (E_RNA) where: Base-Base interactions energy: -1273.930 where: short stacking energy: -555.860 Base-Backbone interact. energy: 1.315 local terms energy: -599.978251 where: bonds (distance) C4'-P energy: -114.124 bonds (distance) P-C4' energy: -129.185 flat angles C4'-P-C4' energy: -145.349 flat angles P-C4'-P energy: -99.107 tors. eta vs tors. theta energy: -112.214 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: 348 Temperature: 1.350000 Total energy: -1546.651125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.651125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.651125 (E_RNA) where: Base-Base interactions energy: -1030.561 where: short stacking energy: -450.780 Base-Backbone interact. energy: -3.017 local terms energy: -513.072440 where: bonds (distance) C4'-P energy: -99.797 bonds (distance) P-C4' energy: -131.563 flat angles C4'-P-C4' energy: -109.397 flat angles P-C4'-P energy: -86.485 tors. eta vs tors. theta energy: -85.831 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: 349 Temperature: 0.900000 Total energy: -3091.362474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.362474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.362474 (E_RNA) where: Base-Base interactions energy: -2197.609 where: short stacking energy: -930.420 Base-Backbone interact. energy: -3.953 local terms energy: -889.801141 where: bonds (distance) C4'-P energy: -156.065 bonds (distance) P-C4' energy: -156.065 flat angles C4'-P-C4' energy: -190.360 flat angles P-C4'-P energy: -123.310 tors. eta vs tors. theta energy: -264.001 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: 7 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -3001.992634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.992634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.992634 (E_RNA) where: Base-Base interactions energy: -2133.341 where: short stacking energy: -900.772 Base-Backbone interact. energy: -1.772 local terms energy: -866.879783 where: bonds (distance) C4'-P energy: -160.405 bonds (distance) P-C4' energy: -138.948 flat angles C4'-P-C4' energy: -191.148 flat angles P-C4'-P energy: -125.958 tors. eta vs tors. theta energy: -250.422 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: 349 Temperature: 1.000000 Total energy: -2876.927649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.927649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.927649 (E_RNA) where: Base-Base interactions energy: -2044.040 where: short stacking energy: -840.757 Base-Backbone interact. energy: -0.620 local terms energy: -832.267013 where: bonds (distance) C4'-P energy: -149.498 bonds (distance) P-C4' energy: -157.113 flat angles C4'-P-C4' energy: -186.706 flat angles P-C4'-P energy: -105.651 tors. eta vs tors. theta energy: -233.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2652.307745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.307745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.307745 (E_RNA) where: Base-Base interactions energy: -1888.163 where: short stacking energy: -804.923 Base-Backbone interact. energy: -6.763 local terms energy: -757.381890 where: bonds (distance) C4'-P energy: -133.585 bonds (distance) P-C4' energy: -160.801 flat angles C4'-P-C4' energy: -165.899 flat angles P-C4'-P energy: -91.282 tors. eta vs tors. theta energy: -205.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2681.521055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.521055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.521055 (E_RNA) where: Base-Base interactions energy: -1914.557 where: short stacking energy: -803.418 Base-Backbone interact. energy: -3.366 local terms energy: -763.597490 where: bonds (distance) C4'-P energy: -129.151 bonds (distance) P-C4' energy: -146.626 flat angles C4'-P-C4' energy: -166.911 flat angles P-C4'-P energy: -112.527 tors. eta vs tors. theta energy: -208.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2464.487721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.487721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.487721 (E_RNA) where: Base-Base interactions energy: -1762.040 where: short stacking energy: -730.080 Base-Backbone interact. energy: 3.012 local terms energy: -705.459034 where: bonds (distance) C4'-P energy: -137.320 bonds (distance) P-C4' energy: -143.247 flat angles C4'-P-C4' energy: -150.521 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -187.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2291.991021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.991021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.991021 (E_RNA) where: Base-Base interactions energy: -1609.739 where: short stacking energy: -695.437 Base-Backbone interact. energy: -1.613 local terms energy: -680.638702 where: bonds (distance) C4'-P energy: -131.936 bonds (distance) P-C4' energy: -140.616 flat angles C4'-P-C4' energy: -153.569 flat angles P-C4'-P energy: -80.655 tors. eta vs tors. theta energy: -173.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1891.219719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.219719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.219719 (E_RNA) where: Base-Base interactions energy: -1303.399 where: short stacking energy: -589.827 Base-Backbone interact. energy: -1.673 local terms energy: -586.147489 where: bonds (distance) C4'-P energy: -114.031 bonds (distance) P-C4' energy: -112.384 flat angles C4'-P-C4' energy: -157.430 flat angles P-C4'-P energy: -91.635 tors. eta vs tors. theta energy: -110.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1902.561231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.561231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.561231 (E_RNA) where: Base-Base interactions energy: -1305.658 where: short stacking energy: -549.267 Base-Backbone interact. energy: -2.212 local terms energy: -594.691134 where: bonds (distance) C4'-P energy: -120.196 bonds (distance) P-C4' energy: -132.853 flat angles C4'-P-C4' energy: -143.032 flat angles P-C4'-P energy: -80.499 tors. eta vs tors. theta energy: -118.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1625.572921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.572921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.572921 (E_RNA) where: Base-Base interactions energy: -1095.901 where: short stacking energy: -476.981 Base-Backbone interact. energy: -1.272 local terms energy: -528.399875 where: bonds (distance) C4'-P energy: -124.253 bonds (distance) P-C4' energy: -129.923 flat angles C4'-P-C4' energy: -127.940 flat angles P-C4'-P energy: -68.508 tors. eta vs tors. theta energy: -77.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3089.200572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.200572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.200572 (E_RNA) where: Base-Base interactions energy: -2177.448 where: short stacking energy: -905.021 Base-Backbone interact. energy: -6.468 local terms energy: -905.284539 where: bonds (distance) C4'-P energy: -171.290 bonds (distance) P-C4' energy: -149.118 flat angles C4'-P-C4' energy: -194.763 flat angles P-C4'-P energy: -127.499 tors. eta vs tors. theta energy: -262.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -3018.602669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.602669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.602669 (E_RNA) where: Base-Base interactions energy: -2138.766 where: short stacking energy: -919.158 Base-Backbone interact. energy: -2.469 local terms energy: -877.367501 where: bonds (distance) C4'-P energy: -161.871 bonds (distance) P-C4' energy: -160.601 flat angles C4'-P-C4' energy: -178.879 flat angles P-C4'-P energy: -125.854 tors. eta vs tors. theta energy: -250.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2844.723827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.723827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.723827 (E_RNA) where: Base-Base interactions energy: -2053.570 where: short stacking energy: -842.554 Base-Backbone interact. energy: -3.056 local terms energy: -788.097713 where: bonds (distance) C4'-P energy: -152.162 bonds (distance) P-C4' energy: -152.971 flat angles C4'-P-C4' energy: -168.527 flat angles P-C4'-P energy: -89.804 tors. eta vs tors. theta energy: -224.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2612.631969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.631969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.631969 (E_RNA) where: Base-Base interactions energy: -1823.706 where: short stacking energy: -773.510 Base-Backbone interact. energy: -5.497 local terms energy: -783.428567 where: bonds (distance) C4'-P energy: -141.264 bonds (distance) P-C4' energy: -150.237 flat angles C4'-P-C4' energy: -173.059 flat angles P-C4'-P energy: -119.283 tors. eta vs tors. theta energy: -199.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2671.350975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.350975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.350975 (E_RNA) where: Base-Base interactions energy: -1890.935 where: short stacking energy: -785.315 Base-Backbone interact. energy: -6.406 local terms energy: -774.010604 where: bonds (distance) C4'-P energy: -143.523 bonds (distance) P-C4' energy: -145.803 flat angles C4'-P-C4' energy: -165.913 flat angles P-C4'-P energy: -108.274 tors. eta vs tors. theta energy: -210.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2433.374736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.374736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.374736 (E_RNA) where: Base-Base interactions energy: -1714.030 where: short stacking energy: -718.055 Base-Backbone interact. energy: 0.045 local terms energy: -719.390036 where: bonds (distance) C4'-P energy: -123.674 bonds (distance) P-C4' energy: -166.496 flat angles C4'-P-C4' energy: -150.970 flat angles P-C4'-P energy: -83.139 tors. eta vs tors. theta energy: -195.111 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: 2 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2276.395499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.395499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.395499 (E_RNA) where: Base-Base interactions energy: -1609.253 where: short stacking energy: -664.792 Base-Backbone interact. energy: 2.010 local terms energy: -669.152079 where: bonds (distance) C4'-P energy: -128.882 bonds (distance) P-C4' energy: -155.343 flat angles C4'-P-C4' energy: -139.544 flat angles P-C4'-P energy: -96.946 tors. eta vs tors. theta energy: -148.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1969.231253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.231253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.231253 (E_RNA) where: Base-Base interactions energy: -1353.804 where: short stacking energy: -589.355 Base-Backbone interact. energy: 1.661 local terms energy: -617.088313 where: bonds (distance) C4'-P energy: -142.529 bonds (distance) P-C4' energy: -107.280 flat angles C4'-P-C4' energy: -153.629 flat angles P-C4'-P energy: -86.567 tors. eta vs tors. theta energy: -127.084 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: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1881.410438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.410438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.410438 (E_RNA) where: Base-Base interactions energy: -1267.611 where: short stacking energy: -551.037 Base-Backbone interact. energy: 2.147 local terms energy: -615.946972 where: bonds (distance) C4'-P energy: -131.155 bonds (distance) P-C4' energy: -147.868 flat angles C4'-P-C4' energy: -136.745 flat angles P-C4'-P energy: -80.919 tors. eta vs tors. theta energy: -119.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1546.148474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.148474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.148474 (E_RNA) where: Base-Base interactions energy: -1001.833 where: short stacking energy: -415.179 Base-Backbone interact. energy: 0.541 local terms energy: -544.856652 where: bonds (distance) C4'-P energy: -127.488 bonds (distance) P-C4' energy: -162.213 flat angles C4'-P-C4' energy: -111.872 flat angles P-C4'-P energy: -77.266 tors. eta vs tors. theta energy: -66.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3070.311492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.311492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.311492 (E_RNA) where: Base-Base interactions energy: -2169.042 where: short stacking energy: -940.606 Base-Backbone interact. energy: -4.813 local terms energy: -896.456235 where: bonds (distance) C4'-P energy: -152.255 bonds (distance) P-C4' energy: -159.066 flat angles C4'-P-C4' energy: -196.341 flat angles P-C4'-P energy: -132.099 tors. eta vs tors. theta energy: -256.696 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: 7 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -3011.964364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.964364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.964364 (E_RNA) where: Base-Base interactions energy: -2117.461 where: short stacking energy: -919.127 Base-Backbone interact. energy: -3.606 local terms energy: -890.897217 where: bonds (distance) C4'-P energy: -157.156 bonds (distance) P-C4' energy: -163.493 flat angles C4'-P-C4' energy: -187.645 flat angles P-C4'-P energy: -130.109 tors. eta vs tors. theta energy: -252.495 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: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2797.914283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.914283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.914283 (E_RNA) where: Base-Base interactions energy: -1983.412 where: short stacking energy: -823.492 Base-Backbone interact. energy: 0.386 local terms energy: -814.887944 where: bonds (distance) C4'-P energy: -165.364 bonds (distance) P-C4' energy: -157.543 flat angles C4'-P-C4' energy: -171.728 flat angles P-C4'-P energy: -105.299 tors. eta vs tors. theta energy: -214.953 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: 4, replica: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2749.430395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.430395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.430395 (E_RNA) where: Base-Base interactions energy: -1934.997 where: short stacking energy: -812.017 Base-Backbone interact. energy: -5.948 local terms energy: -808.485030 where: bonds (distance) C4'-P energy: -142.333 bonds (distance) P-C4' energy: -160.943 flat angles C4'-P-C4' energy: -169.278 flat angles P-C4'-P energy: -116.320 tors. eta vs tors. theta energy: -219.611 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: 4 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2544.938543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.938543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.938543 (E_RNA) where: Base-Base interactions energy: -1822.661 where: short stacking energy: -760.001 Base-Backbone interact. energy: -4.794 local terms energy: -717.482989 where: bonds (distance) C4'-P energy: -122.739 bonds (distance) P-C4' energy: -134.006 flat angles C4'-P-C4' energy: -143.191 flat angles P-C4'-P energy: -109.383 tors. eta vs tors. theta energy: -208.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2402.055698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.055698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.055698 (E_RNA) where: Base-Base interactions energy: -1652.024 where: short stacking energy: -695.353 Base-Backbone interact. energy: -1.499 local terms energy: -748.532547 where: bonds (distance) C4'-P energy: -138.577 bonds (distance) P-C4' energy: -156.353 flat angles C4'-P-C4' energy: -158.894 flat angles P-C4'-P energy: -104.539 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: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2306.307534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.307534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.307534 (E_RNA) where: Base-Base interactions energy: -1596.813 where: short stacking energy: -696.806 Base-Backbone interact. energy: 0.785 local terms energy: -710.279260 where: bonds (distance) C4'-P energy: -118.844 bonds (distance) P-C4' energy: -159.177 flat angles C4'-P-C4' energy: -161.240 flat angles P-C4'-P energy: -98.593 tors. eta vs tors. theta energy: -172.426 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: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -2028.111801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.111801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.111801 (E_RNA) where: Base-Base interactions energy: -1396.167 where: short stacking energy: -608.643 Base-Backbone interact. energy: -3.473 local terms energy: -628.471763 where: bonds (distance) C4'-P energy: -122.995 bonds (distance) P-C4' energy: -145.809 flat angles C4'-P-C4' energy: -147.634 flat angles P-C4'-P energy: -78.675 tors. eta vs tors. theta energy: -133.359 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: 351 Temperature: 1.300000 Total energy: -1824.360073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.360073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.360073 (E_RNA) where: Base-Base interactions energy: -1259.840 where: short stacking energy: -534.873 Base-Backbone interact. energy: 1.592 local terms energy: -566.112583 where: bonds (distance) C4'-P energy: -122.922 bonds (distance) P-C4' energy: -118.973 flat angles C4'-P-C4' energy: -124.996 flat angles P-C4'-P energy: -92.082 tors. eta vs tors. theta energy: -107.140 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: 10, replica: 6 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1486.997682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.997682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.997682 (E_RNA) where: Base-Base interactions energy: -958.616 where: short stacking energy: -419.084 Base-Backbone interact. energy: 1.666 local terms energy: -530.047388 where: bonds (distance) C4'-P energy: -132.014 bonds (distance) P-C4' energy: -119.896 flat angles C4'-P-C4' energy: -123.188 flat angles P-C4'-P energy: -89.114 tors. eta vs tors. theta energy: -65.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3068.361597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.361597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.361597 (E_RNA) where: Base-Base interactions energy: -2163.380 where: short stacking energy: -930.397 Base-Backbone interact. energy: -2.737 local terms energy: -902.244906 where: bonds (distance) C4'-P energy: -153.941 bonds (distance) P-C4' energy: -161.860 flat angles C4'-P-C4' energy: -188.576 flat angles P-C4'-P energy: -137.164 tors. eta vs tors. theta energy: -260.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2988.760032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.760032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.760032 (E_RNA) where: Base-Base interactions energy: -2158.711 where: short stacking energy: -894.719 Base-Backbone interact. energy: -6.925 local terms energy: -823.123388 where: bonds (distance) C4'-P energy: -145.459 bonds (distance) P-C4' energy: -153.570 flat angles C4'-P-C4' energy: -165.816 flat angles P-C4'-P energy: -117.412 tors. eta vs tors. theta energy: -240.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2814.819593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.819593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.819593 (E_RNA) where: Base-Base interactions energy: -2013.309 where: short stacking energy: -847.938 Base-Backbone interact. energy: -2.336 local terms energy: -799.173881 where: bonds (distance) C4'-P energy: -154.569 bonds (distance) P-C4' energy: -150.769 flat angles C4'-P-C4' energy: -161.569 flat angles P-C4'-P energy: -108.011 tors. eta vs tors. theta energy: -224.255 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: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2731.413139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.413139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.413139 (E_RNA) where: Base-Base interactions energy: -1943.377 where: short stacking energy: -819.281 Base-Backbone interact. energy: -0.182 local terms energy: -787.853829 where: bonds (distance) C4'-P energy: -146.961 bonds (distance) P-C4' energy: -163.065 flat angles C4'-P-C4' energy: -176.499 flat angles P-C4'-P energy: -96.945 tors. eta vs tors. theta energy: -204.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2580.377300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.377300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.377300 (E_RNA) where: Base-Base interactions energy: -1818.001 where: short stacking energy: -752.527 Base-Backbone interact. energy: -5.901 local terms energy: -756.475003 where: bonds (distance) C4'-P energy: -129.595 bonds (distance) P-C4' energy: -143.578 flat angles C4'-P-C4' energy: -171.899 flat angles P-C4'-P energy: -110.859 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: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2432.969196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.969196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.969196 (E_RNA) where: Base-Base interactions energy: -1751.205 where: short stacking energy: -722.657 Base-Backbone interact. energy: -2.794 local terms energy: -678.969749 where: bonds (distance) C4'-P energy: -134.856 bonds (distance) P-C4' energy: -143.517 flat angles C4'-P-C4' energy: -144.961 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -170.809 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: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2303.057032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.057032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.057032 (E_RNA) where: Base-Base interactions energy: -1591.905 where: short stacking energy: -697.816 Base-Backbone interact. energy: -2.673 local terms energy: -708.479227 where: bonds (distance) C4'-P energy: -135.870 bonds (distance) P-C4' energy: -135.340 flat angles C4'-P-C4' energy: -164.266 flat angles P-C4'-P energy: -105.995 tors. eta vs tors. theta energy: -167.009 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: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1930.552320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.552320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.552320 (E_RNA) where: Base-Base interactions energy: -1321.944 where: short stacking energy: -580.893 Base-Backbone interact. energy: -1.893 local terms energy: -606.715059 where: bonds (distance) C4'-P energy: -124.306 bonds (distance) P-C4' energy: -129.426 flat angles C4'-P-C4' energy: -126.280 flat angles P-C4'-P energy: -78.428 tors. eta vs tors. theta energy: -148.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1866.429301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.429301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.429301 (E_RNA) where: Base-Base interactions energy: -1312.465 where: short stacking energy: -537.213 Base-Backbone interact. energy: 0.667 local terms energy: -554.631400 where: bonds (distance) C4'-P energy: -125.582 bonds (distance) P-C4' energy: -119.489 flat angles C4'-P-C4' energy: -137.193 flat angles P-C4'-P energy: -69.982 tors. eta vs tors. theta energy: -102.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1634.436677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.436677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.436677 (E_RNA) where: Base-Base interactions energy: -1065.507 where: short stacking energy: -486.238 Base-Backbone interact. energy: -1.234 local terms energy: -567.695759 where: bonds (distance) C4'-P energy: -119.479 bonds (distance) P-C4' energy: -137.294 flat angles C4'-P-C4' energy: -122.367 flat angles P-C4'-P energy: -102.172 tors. eta vs tors. theta energy: -86.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3073.921686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.921686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.921686 (E_RNA) where: Base-Base interactions energy: -2198.188 where: short stacking energy: -909.982 Base-Backbone interact. energy: -6.552 local terms energy: -869.181992 where: bonds (distance) C4'-P energy: -153.358 bonds (distance) P-C4' energy: -165.964 flat angles C4'-P-C4' energy: -178.674 flat angles P-C4'-P energy: -127.098 tors. eta vs tors. theta energy: -244.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2997.640971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.640971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.640971 (E_RNA) where: Base-Base interactions energy: -2129.255 where: short stacking energy: -894.100 Base-Backbone interact. energy: -1.781 local terms energy: -866.604674 where: bonds (distance) C4'-P energy: -144.499 bonds (distance) P-C4' energy: -161.311 flat angles C4'-P-C4' energy: -181.918 flat angles P-C4'-P energy: -135.078 tors. eta vs tors. theta energy: -243.798 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: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2819.998155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.998155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.998155 (E_RNA) where: Base-Base interactions energy: -1991.971 where: short stacking energy: -829.361 Base-Backbone interact. energy: -5.562 local terms energy: -822.465144 where: bonds (distance) C4'-P energy: -153.777 bonds (distance) P-C4' energy: -157.111 flat angles C4'-P-C4' energy: -162.055 flat angles P-C4'-P energy: -117.199 tors. eta vs tors. theta energy: -232.324 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: 4, replica: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2747.996774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.996774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.996774 (E_RNA) where: Base-Base interactions energy: -1956.892 where: short stacking energy: -810.102 Base-Backbone interact. energy: -3.029 local terms energy: -788.075568 where: bonds (distance) C4'-P energy: -149.137 bonds (distance) P-C4' energy: -146.517 flat angles C4'-P-C4' energy: -176.439 flat angles P-C4'-P energy: -109.818 tors. eta vs tors. theta energy: -206.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2555.191984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.191984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.191984 (E_RNA) where: Base-Base interactions energy: -1777.578 where: short stacking energy: -764.685 Base-Backbone interact. energy: -4.026 local terms energy: -773.587657 where: bonds (distance) C4'-P energy: -148.610 bonds (distance) P-C4' energy: -155.395 flat angles C4'-P-C4' energy: -169.003 flat angles P-C4'-P energy: -89.244 tors. eta vs tors. theta energy: -211.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2513.480859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.480859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.480859 (E_RNA) where: Base-Base interactions energy: -1815.168 where: short stacking energy: -737.726 Base-Backbone interact. energy: -0.923 local terms energy: -697.390585 where: bonds (distance) C4'-P energy: -127.880 bonds (distance) P-C4' energy: -123.011 flat angles C4'-P-C4' energy: -168.673 flat angles P-C4'-P energy: -99.581 tors. eta vs tors. theta energy: -178.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2272.664590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.664590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.664590 (E_RNA) where: Base-Base interactions energy: -1585.874 where: short stacking energy: -674.037 Base-Backbone interact. energy: -0.212 local terms energy: -686.579329 where: bonds (distance) C4'-P energy: -137.166 bonds (distance) P-C4' energy: -132.888 flat angles C4'-P-C4' energy: -151.259 flat angles P-C4'-P energy: -118.652 tors. eta vs tors. theta energy: -146.614 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: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -2011.688351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.688351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.688351 (E_RNA) where: Base-Base interactions energy: -1409.826 where: short stacking energy: -603.475 Base-Backbone interact. energy: -1.913 local terms energy: -599.949308 where: bonds (distance) C4'-P energy: -115.017 bonds (distance) P-C4' energy: -145.615 flat angles C4'-P-C4' energy: -121.536 flat angles P-C4'-P energy: -86.601 tors. eta vs tors. theta energy: -131.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1885.662293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.662293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.662293 (E_RNA) where: Base-Base interactions energy: -1269.777 where: short stacking energy: -549.051 Base-Backbone interact. energy: -1.215 local terms energy: -614.670068 where: bonds (distance) C4'-P energy: -139.099 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -155.786 flat angles P-C4'-P energy: -93.641 tors. eta vs tors. theta energy: -109.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1538.015277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.015277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.015277 (E_RNA) where: Base-Base interactions energy: -1021.001 where: short stacking energy: -449.239 Base-Backbone interact. energy: 0.632 local terms energy: -517.645631 where: bonds (distance) C4'-P energy: -117.255 bonds (distance) P-C4' energy: -122.405 flat angles C4'-P-C4' energy: -129.966 flat angles P-C4'-P energy: -82.843 tors. eta vs tors. theta energy: -65.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3063.851035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.851035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.851035 (E_RNA) where: Base-Base interactions energy: -2170.672 where: short stacking energy: -910.285 Base-Backbone interact. energy: -6.463 local terms energy: -886.716284 where: bonds (distance) C4'-P energy: -161.825 bonds (distance) P-C4' energy: -165.776 flat angles C4'-P-C4' energy: -181.347 flat angles P-C4'-P energy: -126.387 tors. eta vs tors. theta energy: -251.381 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: 7 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2992.041742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.041742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.041742 (E_RNA) where: Base-Base interactions energy: -2118.540 where: short stacking energy: -887.271 Base-Backbone interact. energy: -0.062 local terms energy: -873.439805 where: bonds (distance) C4'-P energy: -164.122 bonds (distance) P-C4' energy: -166.591 flat angles C4'-P-C4' energy: -188.681 flat angles P-C4'-P energy: -113.613 tors. eta vs tors. theta energy: -240.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2838.982655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.982655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.982655 (E_RNA) where: Base-Base interactions energy: -2042.832 where: short stacking energy: -850.358 Base-Backbone interact. energy: 0.664 local terms energy: -796.814236 where: bonds (distance) C4'-P energy: -142.101 bonds (distance) P-C4' energy: -155.763 flat angles C4'-P-C4' energy: -174.440 flat angles P-C4'-P energy: -103.879 tors. eta vs tors. theta energy: -220.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2757.366617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.366617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.366617 (E_RNA) where: Base-Base interactions energy: -1931.827 where: short stacking energy: -798.144 Base-Backbone interact. energy: 0.736 local terms energy: -826.275550 where: bonds (distance) C4'-P energy: -150.591 bonds (distance) P-C4' energy: -159.563 flat angles C4'-P-C4' energy: -177.296 flat angles P-C4'-P energy: -127.494 tors. eta vs tors. theta energy: -211.331 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: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2546.839767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.839767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.839767 (E_RNA) where: Base-Base interactions energy: -1815.657 where: short stacking energy: -760.230 Base-Backbone interact. energy: -2.665 local terms energy: -728.516951 where: bonds (distance) C4'-P energy: -124.205 bonds (distance) P-C4' energy: -155.630 flat angles C4'-P-C4' energy: -156.955 flat angles P-C4'-P energy: -104.264 tors. eta vs tors. theta energy: -187.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2452.204438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.204438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.204438 (E_RNA) where: Base-Base interactions energy: -1759.330 where: short stacking energy: -708.501 Base-Backbone interact. energy: -2.790 local terms energy: -690.085224 where: bonds (distance) C4'-P energy: -126.288 bonds (distance) P-C4' energy: -148.695 flat angles C4'-P-C4' energy: -167.250 flat angles P-C4'-P energy: -82.633 tors. eta vs tors. theta energy: -165.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2298.609415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.609415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.609415 (E_RNA) where: Base-Base interactions energy: -1633.569 where: short stacking energy: -691.317 Base-Backbone interact. energy: -1.888 local terms energy: -663.152827 where: bonds (distance) C4'-P energy: -130.130 bonds (distance) P-C4' energy: -136.082 flat angles C4'-P-C4' energy: -146.399 flat angles P-C4'-P energy: -97.511 tors. eta vs tors. theta energy: -153.031 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: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -2084.764131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.764131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.764131 (E_RNA) where: Base-Base interactions energy: -1435.312 where: short stacking energy: -593.283 Base-Backbone interact. energy: -0.591 local terms energy: -648.861230 where: bonds (distance) C4'-P energy: -128.344 bonds (distance) P-C4' energy: -137.115 flat angles C4'-P-C4' energy: -140.704 flat angles P-C4'-P energy: -101.012 tors. eta vs tors. theta energy: -141.685 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: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1815.995541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.995541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.995541 (E_RNA) where: Base-Base interactions energy: -1235.062 where: short stacking energy: -531.892 Base-Backbone interact. energy: 2.491 local terms energy: -583.424995 where: bonds (distance) C4'-P energy: -132.322 bonds (distance) P-C4' energy: -133.249 flat angles C4'-P-C4' energy: -123.693 flat angles P-C4'-P energy: -87.344 tors. eta vs tors. theta energy: -106.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1577.110212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.110212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.110212 (E_RNA) where: Base-Base interactions energy: -1093.203 where: short stacking energy: -469.529 Base-Backbone interact. energy: -1.336 local terms energy: -482.570823 where: bonds (distance) C4'-P energy: -90.105 bonds (distance) P-C4' energy: -145.247 flat angles C4'-P-C4' energy: -117.173 flat angles P-C4'-P energy: -56.447 tors. eta vs tors. theta energy: -73.598 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: 1, replica: 1 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3107.928804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.928804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.928804 (E_RNA) where: Base-Base interactions energy: -2191.316 where: short stacking energy: -911.239 Base-Backbone interact. energy: -3.383 local terms energy: -913.230237 where: bonds (distance) C4'-P energy: -169.560 bonds (distance) P-C4' energy: -163.960 flat angles C4'-P-C4' energy: -187.427 flat angles P-C4'-P energy: -132.684 tors. eta vs tors. theta energy: -259.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -3019.855433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.855433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.855433 (E_RNA) where: Base-Base interactions energy: -2148.101 where: short stacking energy: -909.226 Base-Backbone interact. energy: -0.807 local terms energy: -870.947711 where: bonds (distance) C4'-P energy: -140.451 bonds (distance) P-C4' energy: -149.784 flat angles C4'-P-C4' energy: -195.439 flat angles P-C4'-P energy: -128.984 tors. eta vs tors. theta energy: -256.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2834.796947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.796947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.796947 (E_RNA) where: Base-Base interactions energy: -2017.934 where: short stacking energy: -831.815 Base-Backbone interact. energy: -4.338 local terms energy: -812.524965 where: bonds (distance) C4'-P energy: -147.896 bonds (distance) P-C4' energy: -144.859 flat angles C4'-P-C4' energy: -176.869 flat angles P-C4'-P energy: -112.853 tors. eta vs tors. theta energy: -230.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2762.169714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.169714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.169714 (E_RNA) where: Base-Base interactions energy: -1972.136 where: short stacking energy: -824.486 Base-Backbone interact. energy: -3.712 local terms energy: -786.320968 where: bonds (distance) C4'-P energy: -128.059 bonds (distance) P-C4' energy: -148.791 flat angles C4'-P-C4' energy: -186.230 flat angles P-C4'-P energy: -114.946 tors. eta vs tors. theta energy: -208.294 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: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2592.076263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.076263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.076263 (E_RNA) where: Base-Base interactions energy: -1884.619 where: short stacking energy: -781.691 Base-Backbone interact. energy: 16.317 local terms energy: -723.773910 where: bonds (distance) C4'-P energy: -117.417 bonds (distance) P-C4' energy: -129.292 flat angles C4'-P-C4' energy: -157.690 flat angles P-C4'-P energy: -112.887 tors. eta vs tors. theta energy: -206.488 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: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2405.342175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.342175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.342175 (E_RNA) where: Base-Base interactions energy: -1706.318 where: short stacking energy: -703.367 Base-Backbone interact. energy: -2.609 local terms energy: -696.414297 where: bonds (distance) C4'-P energy: -136.031 bonds (distance) P-C4' energy: -137.235 flat angles C4'-P-C4' energy: -147.610 flat angles P-C4'-P energy: -96.100 tors. eta vs tors. theta energy: -179.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2316.167031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.167031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.167031 (E_RNA) where: Base-Base interactions energy: -1633.997 where: short stacking energy: -660.982 Base-Backbone interact. energy: 0.699 local terms energy: -682.868946 where: bonds (distance) C4'-P energy: -131.506 bonds (distance) P-C4' energy: -153.084 flat angles C4'-P-C4' energy: -160.569 flat angles P-C4'-P energy: -91.899 tors. eta vs tors. theta energy: -145.812 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: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -2121.977046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.977046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.977046 (E_RNA) where: Base-Base interactions energy: -1470.000 where: short stacking energy: -636.829 Base-Backbone interact. energy: -1.488 local terms energy: -650.488178 where: bonds (distance) C4'-P energy: -142.536 bonds (distance) P-C4' energy: -114.733 flat angles C4'-P-C4' energy: -158.113 flat angles P-C4'-P energy: -80.336 tors. eta vs tors. theta energy: -154.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1856.758308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.758308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.758308 (E_RNA) where: Base-Base interactions energy: -1258.251 where: short stacking energy: -541.293 Base-Backbone interact. energy: -2.291 local terms energy: -596.216528 where: bonds (distance) C4'-P energy: -117.539 bonds (distance) P-C4' energy: -121.207 flat angles C4'-P-C4' energy: -146.364 flat angles P-C4'-P energy: -99.215 tors. eta vs tors. theta energy: -111.893 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: 6 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1547.624989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.624989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.624989 (E_RNA) where: Base-Base interactions energy: -1010.534 where: short stacking energy: -454.154 Base-Backbone interact. energy: -0.114 local terms energy: -536.977092 where: bonds (distance) C4'-P energy: -145.008 bonds (distance) P-C4' energy: -114.698 flat angles C4'-P-C4' energy: -125.719 flat angles P-C4'-P energy: -64.898 tors. eta vs tors. theta energy: -86.654 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: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3095.633284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.633284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.633284 (E_RNA) where: Base-Base interactions energy: -2202.643 where: short stacking energy: -927.961 Base-Backbone interact. energy: -5.053 local terms energy: -887.936538 where: bonds (distance) C4'-P energy: -161.580 bonds (distance) P-C4' energy: -149.768 flat angles C4'-P-C4' energy: -198.533 flat angles P-C4'-P energy: -131.029 tors. eta vs tors. theta energy: -247.026 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: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -3029.184165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.184165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.184165 (E_RNA) where: Base-Base interactions energy: -2144.489 where: short stacking energy: -920.790 Base-Backbone interact. energy: -2.291 local terms energy: -882.404271 where: bonds (distance) C4'-P energy: -171.596 bonds (distance) P-C4' energy: -148.392 flat angles C4'-P-C4' energy: -188.892 flat angles P-C4'-P energy: -122.298 tors. eta vs tors. theta energy: -251.227 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: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2852.865742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.865742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.865742 (E_RNA) where: Base-Base interactions energy: -2035.714 where: short stacking energy: -851.247 Base-Backbone interact. energy: -5.351 local terms energy: -811.800190 where: bonds (distance) C4'-P energy: -150.263 bonds (distance) P-C4' energy: -141.080 flat angles C4'-P-C4' energy: -183.926 flat angles P-C4'-P energy: -112.759 tors. eta vs tors. theta energy: -223.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2729.056737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.056737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.056737 (E_RNA) where: Base-Base interactions energy: -1985.457 where: short stacking energy: -826.473 Base-Backbone interact. energy: -0.014 local terms energy: -743.585681 where: bonds (distance) C4'-P energy: -129.816 bonds (distance) P-C4' energy: -122.704 flat angles C4'-P-C4' energy: -179.726 flat angles P-C4'-P energy: -113.650 tors. eta vs tors. theta energy: -197.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2622.026973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.026973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.026973 (E_RNA) where: Base-Base interactions energy: -1848.094 where: short stacking energy: -759.910 Base-Backbone interact. energy: -0.631 local terms energy: -773.301861 where: bonds (distance) C4'-P energy: -152.209 bonds (distance) P-C4' energy: -154.014 flat angles C4'-P-C4' energy: -177.742 flat angles P-C4'-P energy: -104.631 tors. eta vs tors. theta energy: -184.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2424.873818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.873818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.873818 (E_RNA) where: Base-Base interactions energy: -1702.198 where: short stacking energy: -714.094 Base-Backbone interact. energy: 2.293 local terms energy: -724.968915 where: bonds (distance) C4'-P energy: -137.497 bonds (distance) P-C4' energy: -141.195 flat angles C4'-P-C4' energy: -165.993 flat angles P-C4'-P energy: -104.542 tors. eta vs tors. theta energy: -175.742 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: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2257.156650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.156650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.156650 (E_RNA) where: Base-Base interactions energy: -1597.149 where: short stacking energy: -670.162 Base-Backbone interact. energy: -0.956 local terms energy: -659.051118 where: bonds (distance) C4'-P energy: -139.513 bonds (distance) P-C4' energy: -124.379 flat angles C4'-P-C4' energy: -159.138 flat angles P-C4'-P energy: -97.190 tors. eta vs tors. theta energy: -138.831 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: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -2061.318697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.318697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.318697 (E_RNA) where: Base-Base interactions energy: -1459.255 where: short stacking energy: -613.404 Base-Backbone interact. energy: -1.428 local terms energy: -600.636002 where: bonds (distance) C4'-P energy: -124.756 bonds (distance) P-C4' energy: -140.635 flat angles C4'-P-C4' energy: -131.031 flat angles P-C4'-P energy: -72.647 tors. eta vs tors. theta energy: -131.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1877.522393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.522393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.522393 (E_RNA) where: Base-Base interactions energy: -1312.996 where: short stacking energy: -553.566 Base-Backbone interact. energy: -4.136 local terms energy: -560.390840 where: bonds (distance) C4'-P energy: -99.645 bonds (distance) P-C4' energy: -134.643 flat angles C4'-P-C4' energy: -128.872 flat angles P-C4'-P energy: -87.296 tors. eta vs tors. theta energy: -109.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1591.580570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.580570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.580570 (E_RNA) where: Base-Base interactions energy: -1034.065 where: short stacking energy: -460.748 Base-Backbone interact. energy: -1.021 local terms energy: -556.494277 where: bonds (distance) C4'-P energy: -127.654 bonds (distance) P-C4' energy: -124.815 flat angles C4'-P-C4' energy: -141.047 flat angles P-C4'-P energy: -79.194 tors. eta vs tors. theta energy: -83.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3098.133987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.133987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.133987 (E_RNA) where: Base-Base interactions energy: -2189.088 where: short stacking energy: -927.408 Base-Backbone interact. energy: -7.303 local terms energy: -901.742712 where: bonds (distance) C4'-P energy: -176.431 bonds (distance) P-C4' energy: -158.065 flat angles C4'-P-C4' energy: -192.679 flat angles P-C4'-P energy: -118.913 tors. eta vs tors. theta energy: -255.654 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: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -3018.556014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.556014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.556014 (E_RNA) where: Base-Base interactions energy: -2172.896 where: short stacking energy: -934.694 Base-Backbone interact. energy: -1.541 local terms energy: -844.118693 where: bonds (distance) C4'-P energy: -153.041 bonds (distance) P-C4' energy: -141.223 flat angles C4'-P-C4' energy: -178.188 flat angles P-C4'-P energy: -117.313 tors. eta vs tors. theta energy: -254.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2866.545348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.545348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.545348 (E_RNA) where: Base-Base interactions energy: -2038.192 where: short stacking energy: -835.645 Base-Backbone interact. energy: -2.477 local terms energy: -825.875968 where: bonds (distance) C4'-P energy: -149.099 bonds (distance) P-C4' energy: -157.686 flat angles C4'-P-C4' energy: -179.720 flat angles P-C4'-P energy: -122.478 tors. eta vs tors. theta energy: -216.892 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: 357 Temperature: 1.050000 Total energy: -2774.039138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.039138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.039138 (E_RNA) where: Base-Base interactions energy: -2005.278 where: short stacking energy: -787.219 Base-Backbone interact. energy: -4.525 local terms energy: -764.236068 where: bonds (distance) C4'-P energy: -137.577 bonds (distance) P-C4' energy: -150.410 flat angles C4'-P-C4' energy: -160.672 flat angles P-C4'-P energy: -114.079 tors. eta vs tors. theta energy: -201.497 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: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2598.179519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.179519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.179519 (E_RNA) where: Base-Base interactions energy: -1866.741 where: short stacking energy: -748.230 Base-Backbone interact. energy: 1.818 local terms energy: -733.256621 where: bonds (distance) C4'-P energy: -136.827 bonds (distance) P-C4' energy: -139.259 flat angles C4'-P-C4' energy: -163.507 flat angles P-C4'-P energy: -95.714 tors. eta vs tors. theta energy: -197.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2413.789624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.789624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.789624 (E_RNA) where: Base-Base interactions energy: -1687.822 where: short stacking energy: -729.701 Base-Backbone interact. energy: 2.518 local terms energy: -728.485087 where: bonds (distance) C4'-P energy: -130.769 bonds (distance) P-C4' energy: -146.084 flat angles C4'-P-C4' energy: -155.111 flat angles P-C4'-P energy: -105.973 tors. eta vs tors. theta energy: -190.548 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: 2 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2332.778414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.778414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.778414 (E_RNA) where: Base-Base interactions energy: -1639.948 where: short stacking energy: -715.113 Base-Backbone interact. energy: -2.912 local terms energy: -689.918860 where: bonds (distance) C4'-P energy: -135.028 bonds (distance) P-C4' energy: -122.383 flat angles C4'-P-C4' energy: -169.912 flat angles P-C4'-P energy: -85.131 tors. eta vs tors. theta energy: -177.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -2041.470980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.470980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.470980 (E_RNA) where: Base-Base interactions energy: -1413.840 where: short stacking energy: -609.606 Base-Backbone interact. energy: 1.990 local terms energy: -629.621851 where: bonds (distance) C4'-P energy: -125.329 bonds (distance) P-C4' energy: -127.508 flat angles C4'-P-C4' energy: -139.853 flat angles P-C4'-P energy: -95.727 tors. eta vs tors. theta energy: -141.206 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: 9 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1869.489800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.489800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.489800 (E_RNA) where: Base-Base interactions energy: -1291.026 where: short stacking energy: -557.502 Base-Backbone interact. energy: -2.523 local terms energy: -575.940763 where: bonds (distance) C4'-P energy: -124.895 bonds (distance) P-C4' energy: -114.696 flat angles C4'-P-C4' energy: -149.573 flat angles P-C4'-P energy: -75.089 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: 6 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1546.047534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.047534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.047534 (E_RNA) where: Base-Base interactions energy: -1039.615 where: short stacking energy: -460.888 Base-Backbone interact. energy: 5.773 local terms energy: -512.205587 where: bonds (distance) C4'-P energy: -127.290 bonds (distance) P-C4' energy: -92.293 flat angles C4'-P-C4' energy: -126.719 flat angles P-C4'-P energy: -90.455 tors. eta vs tors. theta energy: -75.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3084.656743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.656743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.656743 (E_RNA) where: Base-Base interactions energy: -2196.203 where: short stacking energy: -926.413 Base-Backbone interact. energy: -4.518 local terms energy: -883.935369 where: bonds (distance) C4'-P energy: -162.491 bonds (distance) P-C4' energy: -154.524 flat angles C4'-P-C4' energy: -179.527 flat angles P-C4'-P energy: -125.733 tors. eta vs tors. theta energy: -261.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -3045.478081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.478081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.478081 (E_RNA) where: Base-Base interactions energy: -2170.712 where: short stacking energy: -918.401 Base-Backbone interact. energy: 3.355 local terms energy: -878.121002 where: bonds (distance) C4'-P energy: -142.260 bonds (distance) P-C4' energy: -163.903 flat angles C4'-P-C4' energy: -191.276 flat angles P-C4'-P energy: -127.619 tors. eta vs tors. theta energy: -253.062 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: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2814.306474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.306474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.306474 (E_RNA) where: Base-Base interactions energy: -2005.952 where: short stacking energy: -818.618 Base-Backbone interact. energy: -3.775 local terms energy: -804.578731 where: bonds (distance) C4'-P energy: -144.943 bonds (distance) P-C4' energy: -160.742 flat angles C4'-P-C4' energy: -173.463 flat angles P-C4'-P energy: -121.003 tors. eta vs tors. theta energy: -204.427 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: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2801.605818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.605818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.605818 (E_RNA) where: Base-Base interactions energy: -2010.801 where: short stacking energy: -875.774 Base-Backbone interact. energy: -5.212 local terms energy: -785.592846 where: bonds (distance) C4'-P energy: -123.952 bonds (distance) P-C4' energy: -152.374 flat angles C4'-P-C4' energy: -175.737 flat angles P-C4'-P energy: -106.999 tors. eta vs tors. theta energy: -226.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2573.009586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.009586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.009586 (E_RNA) where: Base-Base interactions energy: -1831.403 where: short stacking energy: -767.689 Base-Backbone interact. energy: -5.098 local terms energy: -736.509415 where: bonds (distance) C4'-P energy: -141.235 bonds (distance) P-C4' energy: -143.423 flat angles C4'-P-C4' energy: -157.748 flat angles P-C4'-P energy: -104.810 tors. eta vs tors. theta energy: -189.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2430.760379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.760379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.760379 (E_RNA) where: Base-Base interactions energy: -1732.131 where: short stacking energy: -708.320 Base-Backbone interact. energy: 3.394 local terms energy: -702.023899 where: bonds (distance) C4'-P energy: -153.509 bonds (distance) P-C4' energy: -125.856 flat angles C4'-P-C4' energy: -150.619 flat angles P-C4'-P energy: -95.580 tors. eta vs tors. theta energy: -176.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2365.010992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.010992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.010992 (E_RNA) where: Base-Base interactions energy: -1649.720 where: short stacking energy: -709.054 Base-Backbone interact. energy: 0.875 local terms energy: -716.165921 where: bonds (distance) C4'-P energy: -137.753 bonds (distance) P-C4' energy: -149.020 flat angles C4'-P-C4' energy: -141.098 flat angles P-C4'-P energy: -106.264 tors. eta vs tors. theta energy: -182.031 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: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -2043.543854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.543854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.543854 (E_RNA) where: Base-Base interactions energy: -1406.833 where: short stacking energy: -597.304 Base-Backbone interact. energy: 8.581 local terms energy: -645.292302 where: bonds (distance) C4'-P energy: -132.018 bonds (distance) P-C4' energy: -132.830 flat angles C4'-P-C4' energy: -152.068 flat angles P-C4'-P energy: -104.138 tors. eta vs tors. theta energy: -124.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1873.310774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.310774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.310774 (E_RNA) where: Base-Base interactions energy: -1297.602 where: short stacking energy: -558.717 Base-Backbone interact. energy: -5.015 local terms energy: -570.694344 where: bonds (distance) C4'-P energy: -133.522 bonds (distance) P-C4' energy: -110.690 flat angles C4'-P-C4' energy: -140.914 flat angles P-C4'-P energy: -60.979 tors. eta vs tors. theta energy: -124.589 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: 6 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1515.783462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.783462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.783462 (E_RNA) where: Base-Base interactions energy: -1016.849 where: short stacking energy: -438.597 Base-Backbone interact. energy: -1.037 local terms energy: -497.897225 where: bonds (distance) C4'-P energy: -118.199 bonds (distance) P-C4' energy: -127.657 flat angles C4'-P-C4' energy: -121.259 flat angles P-C4'-P energy: -56.729 tors. eta vs tors. theta energy: -74.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3091.090834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.090834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.090834 (E_RNA) where: Base-Base interactions energy: -2214.779 where: short stacking energy: -914.112 Base-Backbone interact. energy: -6.201 local terms energy: -870.110016 where: bonds (distance) C4'-P energy: -154.586 bonds (distance) P-C4' energy: -159.054 flat angles C4'-P-C4' energy: -192.114 flat angles P-C4'-P energy: -118.455 tors. eta vs tors. theta energy: -245.901 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: 2, replica: 7 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -3006.258350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.258350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.258350 (E_RNA) where: Base-Base interactions energy: -2119.971 where: short stacking energy: -911.580 Base-Backbone interact. energy: -4.373 local terms energy: -881.914549 where: bonds (distance) C4'-P energy: -154.703 bonds (distance) P-C4' energy: -162.928 flat angles C4'-P-C4' energy: -195.991 flat angles P-C4'-P energy: -115.613 tors. eta vs tors. theta energy: -252.680 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: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2838.874360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.874360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.874360 (E_RNA) where: Base-Base interactions energy: -2045.432 where: short stacking energy: -836.771 Base-Backbone interact. energy: 1.203 local terms energy: -794.645982 where: bonds (distance) C4'-P energy: -152.105 bonds (distance) P-C4' energy: -135.708 flat angles C4'-P-C4' energy: -181.942 flat angles P-C4'-P energy: -103.934 tors. eta vs tors. theta energy: -220.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2806.606091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.606091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.606091 (E_RNA) where: Base-Base interactions energy: -2014.156 where: short stacking energy: -814.415 Base-Backbone interact. energy: 1.240 local terms energy: -793.690228 where: bonds (distance) C4'-P energy: -145.377 bonds (distance) P-C4' energy: -151.338 flat angles C4'-P-C4' energy: -172.988 flat angles P-C4'-P energy: -108.591 tors. eta vs tors. theta energy: -215.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2578.759052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.759052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.759052 (E_RNA) where: Base-Base interactions energy: -1823.837 where: short stacking energy: -775.527 Base-Backbone interact. energy: -3.220 local terms energy: -751.702184 where: bonds (distance) C4'-P energy: -137.054 bonds (distance) P-C4' energy: -152.805 flat angles C4'-P-C4' energy: -154.137 flat angles P-C4'-P energy: -105.343 tors. eta vs tors. theta energy: -202.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2373.796457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.796457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.796457 (E_RNA) where: Base-Base interactions energy: -1692.702 where: short stacking energy: -718.693 Base-Backbone interact. energy: -2.941 local terms energy: -678.153591 where: bonds (distance) C4'-P energy: -127.047 bonds (distance) P-C4' energy: -130.994 flat angles C4'-P-C4' energy: -153.508 flat angles P-C4'-P energy: -93.366 tors. eta vs tors. theta energy: -173.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2337.238912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.238912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.238912 (E_RNA) where: Base-Base interactions energy: -1653.557 where: short stacking energy: -708.684 Base-Backbone interact. energy: -0.533 local terms energy: -683.148596 where: bonds (distance) C4'-P energy: -109.382 bonds (distance) P-C4' energy: -160.199 flat angles C4'-P-C4' energy: -144.883 flat angles P-C4'-P energy: -91.797 tors. eta vs tors. theta energy: -176.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -2092.640319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.640319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.640319 (E_RNA) where: Base-Base interactions energy: -1456.723 where: short stacking energy: -603.657 Base-Backbone interact. energy: -0.537 local terms energy: -635.379966 where: bonds (distance) C4'-P energy: -122.000 bonds (distance) P-C4' energy: -132.399 flat angles C4'-P-C4' energy: -157.417 flat angles P-C4'-P energy: -86.176 tors. eta vs tors. theta energy: -137.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1851.751161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.751161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.751161 (E_RNA) where: Base-Base interactions energy: -1321.164 where: short stacking energy: -548.698 Base-Backbone interact. energy: -2.573 local terms energy: -528.014826 where: bonds (distance) C4'-P energy: -108.911 bonds (distance) P-C4' energy: -122.458 flat angles C4'-P-C4' energy: -125.901 flat angles P-C4'-P energy: -62.289 tors. eta vs tors. theta energy: -108.455 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: 6 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1564.079968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.079968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.079968 (E_RNA) where: Base-Base interactions energy: -1055.262 where: short stacking energy: -451.797 Base-Backbone interact. energy: 0.877 local terms energy: -509.695497 where: bonds (distance) C4'-P energy: -101.862 bonds (distance) P-C4' energy: -127.959 flat angles C4'-P-C4' energy: -147.995 flat angles P-C4'-P energy: -74.702 tors. eta vs tors. theta energy: -57.178 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: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3072.368876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.368876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.368876 (E_RNA) where: Base-Base interactions energy: -2180.139 where: short stacking energy: -915.581 Base-Backbone interact. energy: -5.626 local terms energy: -886.603719 where: bonds (distance) C4'-P energy: -145.191 bonds (distance) P-C4' energy: -169.216 flat angles C4'-P-C4' energy: -194.598 flat angles P-C4'-P energy: -120.262 tors. eta vs tors. theta energy: -257.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -3021.104267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.104267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.104267 (E_RNA) where: Base-Base interactions energy: -2154.758 where: short stacking energy: -900.406 Base-Backbone interact. energy: -3.060 local terms energy: -863.285546 where: bonds (distance) C4'-P energy: -149.198 bonds (distance) P-C4' energy: -153.152 flat angles C4'-P-C4' energy: -186.233 flat angles P-C4'-P energy: -122.284 tors. eta vs tors. theta energy: -252.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2803.018815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.018815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.018815 (E_RNA) where: Base-Base interactions energy: -1983.943 where: short stacking energy: -857.351 Base-Backbone interact. energy: -6.581 local terms energy: -812.494751 where: bonds (distance) C4'-P energy: -151.414 bonds (distance) P-C4' energy: -149.492 flat angles C4'-P-C4' energy: -177.138 flat angles P-C4'-P energy: -118.421 tors. eta vs tors. theta energy: -216.030 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: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2775.983679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.983679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.983679 (E_RNA) where: Base-Base interactions energy: -1984.917 where: short stacking energy: -839.367 Base-Backbone interact. energy: -1.433 local terms energy: -789.633458 where: bonds (distance) C4'-P energy: -152.930 bonds (distance) P-C4' energy: -141.476 flat angles C4'-P-C4' energy: -176.850 flat angles P-C4'-P energy: -110.595 tors. eta vs tors. theta energy: -207.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2571.120990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.120990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.120990 (E_RNA) where: Base-Base interactions energy: -1827.005 where: short stacking energy: -764.352 Base-Backbone interact. energy: -1.004 local terms energy: -743.112759 where: bonds (distance) C4'-P energy: -142.598 bonds (distance) P-C4' energy: -154.927 flat angles C4'-P-C4' energy: -155.298 flat angles P-C4'-P energy: -98.445 tors. eta vs tors. theta energy: -191.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2390.723433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.723433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.723433 (E_RNA) where: Base-Base interactions energy: -1703.797 where: short stacking energy: -718.660 Base-Backbone interact. energy: 1.296 local terms energy: -688.222157 where: bonds (distance) C4'-P energy: -128.866 bonds (distance) P-C4' energy: -135.999 flat angles C4'-P-C4' energy: -160.721 flat angles P-C4'-P energy: -95.463 tors. eta vs tors. theta energy: -167.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2301.524706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.524706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.524706 (E_RNA) where: Base-Base interactions energy: -1633.638 where: short stacking energy: -696.398 Base-Backbone interact. energy: -4.423 local terms energy: -663.463831 where: bonds (distance) C4'-P energy: -130.282 bonds (distance) P-C4' energy: -136.339 flat angles C4'-P-C4' energy: -146.110 flat angles P-C4'-P energy: -76.398 tors. eta vs tors. theta energy: -174.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -2097.806447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.806447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.806447 (E_RNA) where: Base-Base interactions energy: -1438.199 where: short stacking energy: -639.113 Base-Backbone interact. energy: -0.534 local terms energy: -659.073711 where: bonds (distance) C4'-P energy: -117.882 bonds (distance) P-C4' energy: -128.379 flat angles C4'-P-C4' energy: -158.408 flat angles P-C4'-P energy: -100.071 tors. eta vs tors. theta energy: -154.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1866.092820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.092820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.092820 (E_RNA) where: Base-Base interactions energy: -1267.904 where: short stacking energy: -567.467 Base-Backbone interact. energy: -0.173 local terms energy: -598.016600 where: bonds (distance) C4'-P energy: -103.951 bonds (distance) P-C4' energy: -139.762 flat angles C4'-P-C4' energy: -127.192 flat angles P-C4'-P energy: -102.170 tors. eta vs tors. theta energy: -124.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1583.033883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.033883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.033883 (E_RNA) where: Base-Base interactions energy: -1047.948 where: short stacking energy: -480.418 Base-Backbone interact. energy: 1.597 local terms energy: -536.682258 where: bonds (distance) C4'-P energy: -116.973 bonds (distance) P-C4' energy: -116.944 flat angles C4'-P-C4' energy: -139.487 flat angles P-C4'-P energy: -70.894 tors. eta vs tors. theta energy: -92.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3066.968565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.968565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.968565 (E_RNA) where: Base-Base interactions energy: -2197.353 where: short stacking energy: -911.846 Base-Backbone interact. energy: -4.692 local terms energy: -864.923783 where: bonds (distance) C4'-P energy: -155.466 bonds (distance) P-C4' energy: -150.519 flat angles C4'-P-C4' energy: -175.734 flat angles P-C4'-P energy: -129.612 tors. eta vs tors. theta energy: -253.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -3017.051712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.051712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.051712 (E_RNA) where: Base-Base interactions energy: -2122.528 where: short stacking energy: -910.370 Base-Backbone interact. energy: -4.037 local terms energy: -890.486024 where: bonds (distance) C4'-P energy: -158.371 bonds (distance) P-C4' energy: -172.907 flat angles C4'-P-C4' energy: -193.595 flat angles P-C4'-P energy: -124.104 tors. eta vs tors. theta energy: -241.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2789.884189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.884189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.884189 (E_RNA) where: Base-Base interactions energy: -1963.184 where: short stacking energy: -822.600 Base-Backbone interact. energy: -4.829 local terms energy: -821.870739 where: bonds (distance) C4'-P energy: -150.643 bonds (distance) P-C4' energy: -154.491 flat angles C4'-P-C4' energy: -167.499 flat angles P-C4'-P energy: -121.327 tors. eta vs tors. theta energy: -227.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2766.078945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.078945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.078945 (E_RNA) where: Base-Base interactions energy: -1949.439 where: short stacking energy: -804.479 Base-Backbone interact. energy: 1.871 local terms energy: -818.510942 where: bonds (distance) C4'-P energy: -152.546 bonds (distance) P-C4' energy: -156.108 flat angles C4'-P-C4' energy: -163.981 flat angles P-C4'-P energy: -124.716 tors. eta vs tors. theta energy: -221.160 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: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2581.741402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.741402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.741402 (E_RNA) where: Base-Base interactions energy: -1825.843 where: short stacking energy: -749.080 Base-Backbone interact. energy: -0.349 local terms energy: -755.549705 where: bonds (distance) C4'-P energy: -144.841 bonds (distance) P-C4' energy: -136.248 flat angles C4'-P-C4' energy: -162.424 flat angles P-C4'-P energy: -122.821 tors. eta vs tors. theta energy: -189.216 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: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2357.548142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.548142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.548142 (E_RNA) where: Base-Base interactions energy: -1664.710 where: short stacking energy: -717.508 Base-Backbone interact. energy: -1.487 local terms energy: -691.350643 where: bonds (distance) C4'-P energy: -140.272 bonds (distance) P-C4' energy: -106.943 flat angles C4'-P-C4' energy: -167.341 flat angles P-C4'-P energy: -106.233 tors. eta vs tors. theta energy: -170.561 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: 7, replica: 8 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2373.542208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.542208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.542208 (E_RNA) where: Base-Base interactions energy: -1698.765 where: short stacking energy: -718.711 Base-Backbone interact. energy: -0.138 local terms energy: -674.638873 where: bonds (distance) C4'-P energy: -122.959 bonds (distance) P-C4' energy: -151.998 flat angles C4'-P-C4' energy: -136.058 flat angles P-C4'-P energy: -84.219 tors. eta vs tors. theta energy: -179.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -2025.905593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.905593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.905593 (E_RNA) where: Base-Base interactions energy: -1444.669 where: short stacking energy: -598.927 Base-Backbone interact. energy: -1.549 local terms energy: -579.688150 where: bonds (distance) C4'-P energy: -135.338 bonds (distance) P-C4' energy: -111.512 flat angles C4'-P-C4' energy: -146.834 flat angles P-C4'-P energy: -77.515 tors. eta vs tors. theta energy: -108.490 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: 361 Temperature: 1.300000 Total energy: -1897.176572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.176572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.176572 (E_RNA) where: Base-Base interactions energy: -1305.237 where: short stacking energy: -559.511 Base-Backbone interact. energy: -0.004 local terms energy: -591.935673 where: bonds (distance) C4'-P energy: -120.098 bonds (distance) P-C4' energy: -117.491 flat angles C4'-P-C4' energy: -133.675 flat angles P-C4'-P energy: -89.108 tors. eta vs tors. theta energy: -131.563 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: 10, replica: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1500.401810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.401810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.401810 (E_RNA) where: Base-Base interactions energy: -980.067 where: short stacking energy: -469.134 Base-Backbone interact. energy: 0.239 local terms energy: -520.573159 where: bonds (distance) C4'-P energy: -151.746 bonds (distance) P-C4' energy: -95.481 flat angles C4'-P-C4' energy: -135.729 flat angles P-C4'-P energy: -64.856 tors. eta vs tors. theta energy: -72.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3087.064984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.064984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.064984 (E_RNA) where: Base-Base interactions energy: -2217.341 where: short stacking energy: -920.838 Base-Backbone interact. energy: -1.281 local terms energy: -868.442666 where: bonds (distance) C4'-P energy: -155.573 bonds (distance) P-C4' energy: -143.806 flat angles C4'-P-C4' energy: -178.429 flat angles P-C4'-P energy: -141.186 tors. eta vs tors. theta energy: -249.449 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: 362 Temperature: 0.950000 Total energy: -3009.410725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.410725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.410725 (E_RNA) where: Base-Base interactions energy: -2131.346 where: short stacking energy: -900.423 Base-Backbone interact. energy: 3.832 local terms energy: -881.896775 where: bonds (distance) C4'-P energy: -171.700 bonds (distance) P-C4' energy: -159.234 flat angles C4'-P-C4' energy: -188.398 flat angles P-C4'-P energy: -117.606 tors. eta vs tors. theta energy: -244.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2861.287880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.287880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.287880 (E_RNA) where: Base-Base interactions energy: -2019.209 where: short stacking energy: -849.730 Base-Backbone interact. energy: -4.448 local terms energy: -837.630250 where: bonds (distance) C4'-P energy: -157.009 bonds (distance) P-C4' energy: -160.213 flat angles C4'-P-C4' energy: -175.750 flat angles P-C4'-P energy: -113.559 tors. eta vs tors. theta energy: -231.099 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: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2741.348040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.348040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.348040 (E_RNA) where: Base-Base interactions energy: -1925.120 where: short stacking energy: -811.312 Base-Backbone interact. energy: 1.613 local terms energy: -817.841186 where: bonds (distance) C4'-P energy: -138.515 bonds (distance) P-C4' energy: -166.682 flat angles C4'-P-C4' energy: -170.019 flat angles P-C4'-P energy: -115.377 tors. eta vs tors. theta energy: -227.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2580.114342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.114342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.114342 (E_RNA) where: Base-Base interactions energy: -1832.772 where: short stacking energy: -780.373 Base-Backbone interact. energy: 6.347 local terms energy: -753.688770 where: bonds (distance) C4'-P energy: -141.414 bonds (distance) P-C4' energy: -147.186 flat angles C4'-P-C4' energy: -158.144 flat angles P-C4'-P energy: -108.857 tors. eta vs tors. theta energy: -198.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2364.778474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.778474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.778474 (E_RNA) where: Base-Base interactions energy: -1651.258 where: short stacking energy: -719.085 Base-Backbone interact. energy: -3.912 local terms energy: -709.608151 where: bonds (distance) C4'-P energy: -113.153 bonds (distance) P-C4' energy: -146.302 flat angles C4'-P-C4' energy: -168.781 flat angles P-C4'-P energy: -105.825 tors. eta vs tors. theta energy: -175.547 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: 8 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2332.910958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.910958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.910958 (E_RNA) where: Base-Base interactions energy: -1663.534 where: short stacking energy: -684.295 Base-Backbone interact. energy: 1.589 local terms energy: -670.966299 where: bonds (distance) C4'-P energy: -144.183 bonds (distance) P-C4' energy: -137.232 flat angles C4'-P-C4' energy: -142.670 flat angles P-C4'-P energy: -81.781 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: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -2037.824180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.824180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.824180 (E_RNA) where: Base-Base interactions energy: -1432.192 where: short stacking energy: -607.993 Base-Backbone interact. energy: -1.066 local terms energy: -604.566529 where: bonds (distance) C4'-P energy: -119.788 bonds (distance) P-C4' energy: -114.242 flat angles C4'-P-C4' energy: -165.550 flat angles P-C4'-P energy: -87.097 tors. eta vs tors. theta energy: -117.890 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: 362 Temperature: 1.300000 Total energy: -1896.863911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.863911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.863911 (E_RNA) where: Base-Base interactions energy: -1282.303 where: short stacking energy: -542.621 Base-Backbone interact. energy: -1.973 local terms energy: -612.587361 where: bonds (distance) C4'-P energy: -120.855 bonds (distance) P-C4' energy: -124.020 flat angles C4'-P-C4' energy: -143.442 flat angles P-C4'-P energy: -103.137 tors. eta vs tors. theta energy: -121.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1432.770588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.770588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.770588 (E_RNA) where: Base-Base interactions energy: -925.360 where: short stacking energy: -395.927 Base-Backbone interact. energy: 10.473 local terms energy: -517.883599 where: bonds (distance) C4'-P energy: -118.277 bonds (distance) P-C4' energy: -123.779 flat angles C4'-P-C4' energy: -136.693 flat angles P-C4'-P energy: -68.111 tors. eta vs tors. theta energy: -71.024 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: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3088.016105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.016105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.016105 (E_RNA) where: Base-Base interactions energy: -2198.631 where: short stacking energy: -920.345 Base-Backbone interact. energy: -4.756 local terms energy: -884.628622 where: bonds (distance) C4'-P energy: -166.572 bonds (distance) P-C4' energy: -150.881 flat angles C4'-P-C4' energy: -187.838 flat angles P-C4'-P energy: -124.959 tors. eta vs tors. theta energy: -254.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -3000.647841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.647841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.647841 (E_RNA) where: Base-Base interactions energy: -2136.960 where: short stacking energy: -897.951 Base-Backbone interact. energy: -1.854 local terms energy: -861.833770 where: bonds (distance) C4'-P energy: -140.997 bonds (distance) P-C4' energy: -162.654 flat angles C4'-P-C4' energy: -177.619 flat angles P-C4'-P energy: -125.105 tors. eta vs tors. theta energy: -255.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2916.749880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.749880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.749880 (E_RNA) where: Base-Base interactions energy: -2089.875 where: short stacking energy: -860.168 Base-Backbone interact. energy: -4.941 local terms energy: -821.934614 where: bonds (distance) C4'-P energy: -151.352 bonds (distance) P-C4' energy: -157.158 flat angles C4'-P-C4' energy: -167.232 flat angles P-C4'-P energy: -118.351 tors. eta vs tors. theta energy: -227.842 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: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2743.181683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.181683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.181683 (E_RNA) where: Base-Base interactions energy: -1949.450 where: short stacking energy: -792.827 Base-Backbone interact. energy: -3.446 local terms energy: -790.285624 where: bonds (distance) C4'-P energy: -143.994 bonds (distance) P-C4' energy: -157.209 flat angles C4'-P-C4' energy: -177.078 flat angles P-C4'-P energy: -113.996 tors. eta vs tors. theta energy: -198.009 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: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2573.438378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.438378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.438378 (E_RNA) where: Base-Base interactions energy: -1846.575 where: short stacking energy: -763.595 Base-Backbone interact. energy: 1.972 local terms energy: -728.835495 where: bonds (distance) C4'-P energy: -113.263 bonds (distance) P-C4' energy: -152.605 flat angles C4'-P-C4' energy: -163.838 flat angles P-C4'-P energy: -105.454 tors. eta vs tors. theta energy: -193.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2353.836106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.836106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.836106 (E_RNA) where: Base-Base interactions energy: -1676.488 where: short stacking energy: -699.419 Base-Backbone interact. energy: 2.091 local terms energy: -679.438505 where: bonds (distance) C4'-P energy: -137.825 bonds (distance) P-C4' energy: -139.087 flat angles C4'-P-C4' energy: -146.698 flat angles P-C4'-P energy: -98.810 tors. eta vs tors. theta energy: -157.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2299.394451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.394451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.394451 (E_RNA) where: Base-Base interactions energy: -1649.725 where: short stacking energy: -656.414 Base-Backbone interact. energy: -3.086 local terms energy: -646.584062 where: bonds (distance) C4'-P energy: -124.488 bonds (distance) P-C4' energy: -154.173 flat angles C4'-P-C4' energy: -129.550 flat angles P-C4'-P energy: -80.038 tors. eta vs tors. theta energy: -158.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -2129.049197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.049197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.049197 (E_RNA) where: Base-Base interactions energy: -1514.274 where: short stacking energy: -628.027 Base-Backbone interact. energy: -0.087 local terms energy: -614.688302 where: bonds (distance) C4'-P energy: -117.566 bonds (distance) P-C4' energy: -123.017 flat angles C4'-P-C4' energy: -148.418 flat angles P-C4'-P energy: -79.900 tors. eta vs tors. theta energy: -145.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1875.664331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.664331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.664331 (E_RNA) where: Base-Base interactions energy: -1276.224 where: short stacking energy: -538.915 Base-Backbone interact. energy: -1.153 local terms energy: -598.288171 where: bonds (distance) C4'-P energy: -138.806 bonds (distance) P-C4' energy: -149.684 flat angles C4'-P-C4' energy: -136.823 flat angles P-C4'-P energy: -59.820 tors. eta vs tors. theta energy: -113.155 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: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1425.329498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.329498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.329498 (E_RNA) where: Base-Base interactions energy: -939.598 where: short stacking energy: -428.933 Base-Backbone interact. energy: 1.683 local terms energy: -487.414750 where: bonds (distance) C4'-P energy: -118.108 bonds (distance) P-C4' energy: -113.360 flat angles C4'-P-C4' energy: -108.345 flat angles P-C4'-P energy: -77.580 tors. eta vs tors. theta energy: -70.021 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: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3082.641503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.641503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.641503 (E_RNA) where: Base-Base interactions energy: -2204.069 where: short stacking energy: -915.960 Base-Backbone interact. energy: -2.847 local terms energy: -875.725042 where: bonds (distance) C4'-P energy: -153.586 bonds (distance) P-C4' energy: -166.931 flat angles C4'-P-C4' energy: -182.389 flat angles P-C4'-P energy: -125.293 tors. eta vs tors. theta energy: -247.526 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: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -3008.754944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.754944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.754944 (E_RNA) where: Base-Base interactions energy: -2148.308 where: short stacking energy: -907.505 Base-Backbone interact. energy: -2.088 local terms energy: -858.358436 where: bonds (distance) C4'-P energy: -150.360 bonds (distance) P-C4' energy: -147.164 flat angles C4'-P-C4' energy: -187.386 flat angles P-C4'-P energy: -126.616 tors. eta vs tors. theta energy: -246.832 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: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2932.930403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.930403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.930403 (E_RNA) where: Base-Base interactions energy: -2069.673 where: short stacking energy: -839.746 Base-Backbone interact. energy: -4.652 local terms energy: -858.605296 where: bonds (distance) C4'-P energy: -141.113 bonds (distance) P-C4' energy: -166.279 flat angles C4'-P-C4' energy: -183.803 flat angles P-C4'-P energy: -131.581 tors. eta vs tors. theta energy: -235.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2749.426825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.426825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.426825 (E_RNA) where: Base-Base interactions energy: -1990.156 where: short stacking energy: -828.889 Base-Backbone interact. energy: -2.738 local terms energy: -756.532468 where: bonds (distance) C4'-P energy: -129.493 bonds (distance) P-C4' energy: -137.632 flat angles C4'-P-C4' energy: -164.783 flat angles P-C4'-P energy: -117.002 tors. eta vs tors. theta energy: -207.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2599.424065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.424065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.424065 (E_RNA) where: Base-Base interactions energy: -1855.666 where: short stacking energy: -728.319 Base-Backbone interact. energy: -1.138 local terms energy: -742.619699 where: bonds (distance) C4'-P energy: -121.009 bonds (distance) P-C4' energy: -156.567 flat angles C4'-P-C4' energy: -170.984 flat angles P-C4'-P energy: -107.329 tors. eta vs tors. theta energy: -186.732 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: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2393.875148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.875148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.875148 (E_RNA) where: Base-Base interactions energy: -1658.919 where: short stacking energy: -727.507 Base-Backbone interact. energy: -1.435 local terms energy: -733.520250 where: bonds (distance) C4'-P energy: -140.665 bonds (distance) P-C4' energy: -134.002 flat angles C4'-P-C4' energy: -166.966 flat angles P-C4'-P energy: -116.380 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: 7, replica: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2323.619398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.619398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.619398 (E_RNA) where: Base-Base interactions energy: -1632.049 where: short stacking energy: -690.838 Base-Backbone interact. energy: 0.815 local terms energy: -692.385147 where: bonds (distance) C4'-P energy: -128.657 bonds (distance) P-C4' energy: -153.233 flat angles C4'-P-C4' energy: -163.191 flat angles P-C4'-P energy: -89.671 tors. eta vs tors. theta energy: -157.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -2125.540783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.540783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.540783 (E_RNA) where: Base-Base interactions energy: -1489.502 where: short stacking energy: -654.227 Base-Backbone interact. energy: -0.146 local terms energy: -635.892684 where: bonds (distance) C4'-P energy: -99.298 bonds (distance) P-C4' energy: -140.857 flat angles C4'-P-C4' energy: -142.455 flat angles P-C4'-P energy: -90.257 tors. eta vs tors. theta energy: -163.025 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: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1948.353290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.353290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.353290 (E_RNA) where: Base-Base interactions energy: -1326.004 where: short stacking energy: -573.954 Base-Backbone interact. energy: -0.711 local terms energy: -621.638904 where: bonds (distance) C4'-P energy: -133.112 bonds (distance) P-C4' energy: -146.531 flat angles C4'-P-C4' energy: -129.203 flat angles P-C4'-P energy: -89.836 tors. eta vs tors. theta energy: -122.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1478.770231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.770231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.770231 (E_RNA) where: Base-Base interactions energy: -1008.051 where: short stacking energy: -462.768 Base-Backbone interact. energy: 8.824 local terms energy: -479.543590 where: bonds (distance) C4'-P energy: -112.191 bonds (distance) P-C4' energy: -117.972 flat angles C4'-P-C4' energy: -91.192 flat angles P-C4'-P energy: -78.531 tors. eta vs tors. theta energy: -79.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3098.271191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.271191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.271191 (E_RNA) where: Base-Base interactions energy: -2223.544 where: short stacking energy: -923.002 Base-Backbone interact. energy: -4.915 local terms energy: -869.812942 where: bonds (distance) C4'-P energy: -158.536 bonds (distance) P-C4' energy: -138.305 flat angles C4'-P-C4' energy: -190.541 flat angles P-C4'-P energy: -122.435 tors. eta vs tors. theta energy: -259.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -3007.592167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.592167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.592167 (E_RNA) where: Base-Base interactions energy: -2120.597 where: short stacking energy: -897.758 Base-Backbone interact. energy: -1.630 local terms energy: -885.365375 where: bonds (distance) C4'-P energy: -156.331 bonds (distance) P-C4' energy: -168.594 flat angles C4'-P-C4' energy: -185.390 flat angles P-C4'-P energy: -116.713 tors. eta vs tors. theta energy: -258.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2869.701258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.701258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.701258 (E_RNA) where: Base-Base interactions energy: -2028.101 where: short stacking energy: -852.348 Base-Backbone interact. energy: -1.832 local terms energy: -839.768388 where: bonds (distance) C4'-P energy: -152.695 bonds (distance) P-C4' energy: -162.798 flat angles C4'-P-C4' energy: -167.239 flat angles P-C4'-P energy: -127.448 tors. eta vs tors. theta energy: -229.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2753.837288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.837288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.837288 (E_RNA) where: Base-Base interactions energy: -1933.415 where: short stacking energy: -810.583 Base-Backbone interact. energy: -5.235 local terms energy: -815.187264 where: bonds (distance) C4'-P energy: -159.921 bonds (distance) P-C4' energy: -160.495 flat angles C4'-P-C4' energy: -167.729 flat angles P-C4'-P energy: -120.718 tors. eta vs tors. theta energy: -206.325 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: 365 Temperature: 1.100000 Total energy: -2628.760335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.760335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.760335 (E_RNA) where: Base-Base interactions energy: -1844.736 where: short stacking energy: -790.217 Base-Backbone interact. energy: -2.223 local terms energy: -781.801440 where: bonds (distance) C4'-P energy: -140.794 bonds (distance) P-C4' energy: -147.338 flat angles C4'-P-C4' energy: -170.419 flat angles P-C4'-P energy: -105.233 tors. eta vs tors. theta energy: -218.019 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: 2 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2418.980919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.980919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.980919 (E_RNA) where: Base-Base interactions energy: -1684.975 where: short stacking energy: -722.739 Base-Backbone interact. energy: 4.025 local terms energy: -738.030859 where: bonds (distance) C4'-P energy: -141.305 bonds (distance) P-C4' energy: -161.124 flat angles C4'-P-C4' energy: -165.186 flat angles P-C4'-P energy: -101.756 tors. eta vs tors. theta energy: -168.660 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: 8 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2239.719997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.719997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.719997 (E_RNA) where: Base-Base interactions energy: -1609.657 where: short stacking energy: -655.287 Base-Backbone interact. energy: 0.244 local terms energy: -630.307459 where: bonds (distance) C4'-P energy: -107.974 bonds (distance) P-C4' energy: -128.377 flat angles C4'-P-C4' energy: -161.754 flat angles P-C4'-P energy: -85.455 tors. eta vs tors. theta energy: -146.747 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: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -2183.947693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.947693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.947693 (E_RNA) where: Base-Base interactions energy: -1535.947 where: short stacking energy: -634.059 Base-Backbone interact. energy: 2.817 local terms energy: -650.817840 where: bonds (distance) C4'-P energy: -125.942 bonds (distance) P-C4' energy: -128.469 flat angles C4'-P-C4' energy: -146.436 flat angles P-C4'-P energy: -82.831 tors. eta vs tors. theta energy: -167.139 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: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1921.147542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.147542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.147542 (E_RNA) where: Base-Base interactions energy: -1306.575 where: short stacking energy: -563.628 Base-Backbone interact. energy: -4.427 local terms energy: -610.145581 where: bonds (distance) C4'-P energy: -125.307 bonds (distance) P-C4' energy: -135.849 flat angles C4'-P-C4' energy: -138.314 flat angles P-C4'-P energy: -76.366 tors. eta vs tors. theta energy: -134.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1449.847235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.847235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.847235 (E_RNA) where: Base-Base interactions energy: -941.381 where: short stacking energy: -441.394 Base-Backbone interact. energy: 1.444 local terms energy: -509.909807 where: bonds (distance) C4'-P energy: -110.398 bonds (distance) P-C4' energy: -131.112 flat angles C4'-P-C4' energy: -120.975 flat angles P-C4'-P energy: -73.513 tors. eta vs tors. theta energy: -73.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3056.657486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.657486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.657486 (E_RNA) where: Base-Base interactions energy: -2173.099 where: short stacking energy: -909.510 Base-Backbone interact. energy: -2.888 local terms energy: -880.670526 where: bonds (distance) C4'-P energy: -162.089 bonds (distance) P-C4' energy: -162.382 flat angles C4'-P-C4' energy: -183.292 flat angles P-C4'-P energy: -127.632 tors. eta vs tors. theta energy: -245.275 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: 7 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -3069.101371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.101371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.101371 (E_RNA) where: Base-Base interactions energy: -2197.769 where: short stacking energy: -931.506 Base-Backbone interact. energy: -1.568 local terms energy: -869.764589 where: bonds (distance) C4'-P energy: -132.150 bonds (distance) P-C4' energy: -163.137 flat angles C4'-P-C4' energy: -187.058 flat angles P-C4'-P energy: -131.329 tors. eta vs tors. theta energy: -256.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2875.520457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.520457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.520457 (E_RNA) where: Base-Base interactions energy: -2057.828 where: short stacking energy: -854.858 Base-Backbone interact. energy: 0.065 local terms energy: -817.758336 where: bonds (distance) C4'-P energy: -146.997 bonds (distance) P-C4' energy: -151.099 flat angles C4'-P-C4' energy: -177.590 flat angles P-C4'-P energy: -114.834 tors. eta vs tors. theta energy: -227.239 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: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2744.858626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.858626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.858626 (E_RNA) where: Base-Base interactions energy: -1973.799 where: short stacking energy: -828.328 Base-Backbone interact. energy: -0.625 local terms energy: -770.434665 where: bonds (distance) C4'-P energy: -138.254 bonds (distance) P-C4' energy: -154.612 flat angles C4'-P-C4' energy: -164.136 flat angles P-C4'-P energy: -115.790 tors. eta vs tors. theta energy: -197.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2633.577463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.577463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.577463 (E_RNA) where: Base-Base interactions energy: -1891.034 where: short stacking energy: -801.803 Base-Backbone interact. energy: -3.875 local terms energy: -738.668827 where: bonds (distance) C4'-P energy: -137.277 bonds (distance) P-C4' energy: -136.183 flat angles C4'-P-C4' energy: -151.208 flat angles P-C4'-P energy: -100.819 tors. eta vs tors. theta energy: -213.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2336.173116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.173116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.173116 (E_RNA) where: Base-Base interactions energy: -1652.859 where: short stacking energy: -694.815 Base-Backbone interact. energy: -3.739 local terms energy: -679.575235 where: bonds (distance) C4'-P energy: -131.089 bonds (distance) P-C4' energy: -158.853 flat angles C4'-P-C4' energy: -132.315 flat angles P-C4'-P energy: -96.665 tors. eta vs tors. theta energy: -160.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2288.431613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.431613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.431613 (E_RNA) where: Base-Base interactions energy: -1633.301 where: short stacking energy: -682.299 Base-Backbone interact. energy: 3.499 local terms energy: -658.629536 where: bonds (distance) C4'-P energy: -118.505 bonds (distance) P-C4' energy: -122.323 flat angles C4'-P-C4' energy: -148.560 flat angles P-C4'-P energy: -94.056 tors. eta vs tors. theta energy: -175.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -2125.092140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.092140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.092140 (E_RNA) where: Base-Base interactions energy: -1488.910 where: short stacking energy: -595.750 Base-Backbone interact. energy: -1.620 local terms energy: -634.561830 where: bonds (distance) C4'-P energy: -124.953 bonds (distance) P-C4' energy: -142.061 flat angles C4'-P-C4' energy: -149.843 flat angles P-C4'-P energy: -85.099 tors. eta vs tors. theta energy: -132.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1823.989385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.989385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.989385 (E_RNA) where: Base-Base interactions energy: -1262.617 where: short stacking energy: -542.163 Base-Backbone interact. energy: 6.368 local terms energy: -567.740091 where: bonds (distance) C4'-P energy: -102.828 bonds (distance) P-C4' energy: -119.382 flat angles C4'-P-C4' energy: -143.040 flat angles P-C4'-P energy: -90.961 tors. eta vs tors. theta energy: -111.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1462.395230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.395230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.395230 (E_RNA) where: Base-Base interactions energy: -925.855 where: short stacking energy: -446.362 Base-Backbone interact. energy: -3.429 local terms energy: -533.111040 where: bonds (distance) C4'-P energy: -118.875 bonds (distance) P-C4' energy: -117.557 flat angles C4'-P-C4' energy: -143.397 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -78.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3073.853907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.853907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.853907 (E_RNA) where: Base-Base interactions energy: -2195.732 where: short stacking energy: -940.714 Base-Backbone interact. energy: 0.120 local terms energy: -878.241974 where: bonds (distance) C4'-P energy: -139.746 bonds (distance) P-C4' energy: -162.910 flat angles C4'-P-C4' energy: -192.574 flat angles P-C4'-P energy: -122.649 tors. eta vs tors. theta energy: -260.362 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: 7 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -3039.560893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.560893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.560893 (E_RNA) where: Base-Base interactions energy: -2150.787 where: short stacking energy: -889.405 Base-Backbone interact. energy: -3.558 local terms energy: -885.216530 where: bonds (distance) C4'-P energy: -162.025 bonds (distance) P-C4' energy: -155.390 flat angles C4'-P-C4' energy: -188.224 flat angles P-C4'-P energy: -119.311 tors. eta vs tors. theta energy: -260.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2806.018241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.018241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.018241 (E_RNA) where: Base-Base interactions energy: -2006.514 where: short stacking energy: -838.857 Base-Backbone interact. energy: -4.112 local terms energy: -795.392618 where: bonds (distance) C4'-P energy: -116.343 bonds (distance) P-C4' energy: -170.481 flat angles C4'-P-C4' energy: -172.253 flat angles P-C4'-P energy: -107.431 tors. eta vs tors. theta energy: -228.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2755.699363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.699363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.699363 (E_RNA) where: Base-Base interactions energy: -1997.335 where: short stacking energy: -843.479 Base-Backbone interact. energy: -3.248 local terms energy: -755.115778 where: bonds (distance) C4'-P energy: -132.291 bonds (distance) P-C4' energy: -128.264 flat angles C4'-P-C4' energy: -168.379 flat angles P-C4'-P energy: -110.835 tors. eta vs tors. theta energy: -215.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2595.694367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.694367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.694367 (E_RNA) where: Base-Base interactions energy: -1846.389 where: short stacking energy: -762.221 Base-Backbone interact. energy: 2.006 local terms energy: -751.311431 where: bonds (distance) C4'-P energy: -114.595 bonds (distance) P-C4' energy: -147.786 flat angles C4'-P-C4' energy: -167.738 flat angles P-C4'-P energy: -115.743 tors. eta vs tors. theta energy: -205.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2368.251708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.251708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.251708 (E_RNA) where: Base-Base interactions energy: -1660.679 where: short stacking energy: -700.500 Base-Backbone interact. energy: 1.726 local terms energy: -709.298804 where: bonds (distance) C4'-P energy: -136.242 bonds (distance) P-C4' energy: -143.324 flat angles C4'-P-C4' energy: -148.488 flat angles P-C4'-P energy: -112.115 tors. eta vs tors. theta energy: -169.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2276.135846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.135846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.135846 (E_RNA) where: Base-Base interactions energy: -1580.730 where: short stacking energy: -688.546 Base-Backbone interact. energy: 0.802 local terms energy: -696.208004 where: bonds (distance) C4'-P energy: -130.624 bonds (distance) P-C4' energy: -131.404 flat angles C4'-P-C4' energy: -156.138 flat angles P-C4'-P energy: -99.377 tors. eta vs tors. theta energy: -178.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -2143.382974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.382974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.382974 (E_RNA) where: Base-Base interactions energy: -1505.372 where: short stacking energy: -656.072 Base-Backbone interact. energy: -1.340 local terms energy: -636.670209 where: bonds (distance) C4'-P energy: -124.475 bonds (distance) P-C4' energy: -129.776 flat angles C4'-P-C4' energy: -140.676 flat angles P-C4'-P energy: -77.832 tors. eta vs tors. theta energy: -163.910 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: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1831.870339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.870339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.870339 (E_RNA) where: Base-Base interactions energy: -1259.925 where: short stacking energy: -533.192 Base-Backbone interact. energy: -0.234 local terms energy: -571.711101 where: bonds (distance) C4'-P energy: -127.794 bonds (distance) P-C4' energy: -125.083 flat angles C4'-P-C4' energy: -131.823 flat angles P-C4'-P energy: -83.613 tors. eta vs tors. theta energy: -103.398 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: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1509.363608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.363608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.363608 (E_RNA) where: Base-Base interactions energy: -986.733 where: short stacking energy: -451.153 Base-Backbone interact. energy: -0.429 local terms energy: -522.200704 where: bonds (distance) C4'-P energy: -117.678 bonds (distance) P-C4' energy: -153.121 flat angles C4'-P-C4' energy: -107.874 flat angles P-C4'-P energy: -68.867 tors. eta vs tors. theta energy: -74.660 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: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3091.549897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.549897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.549897 (E_RNA) where: Base-Base interactions energy: -2221.357 where: short stacking energy: -910.030 Base-Backbone interact. energy: -4.023 local terms energy: -866.169726 where: bonds (distance) C4'-P energy: -153.521 bonds (distance) P-C4' energy: -147.601 flat angles C4'-P-C4' energy: -191.733 flat angles P-C4'-P energy: -126.430 tors. eta vs tors. theta energy: -246.885 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: 368 Temperature: 0.950000 Total energy: -3029.866271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.866271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.866271 (E_RNA) where: Base-Base interactions energy: -2136.879 where: short stacking energy: -912.499 Base-Backbone interact. energy: -2.068 local terms energy: -890.919581 where: bonds (distance) C4'-P energy: -146.289 bonds (distance) P-C4' energy: -160.385 flat angles C4'-P-C4' energy: -189.351 flat angles P-C4'-P energy: -136.503 tors. eta vs tors. theta energy: -258.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2841.014774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.014774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.014774 (E_RNA) where: Base-Base interactions energy: -2028.524 where: short stacking energy: -850.423 Base-Backbone interact. energy: -1.032 local terms energy: -811.459680 where: bonds (distance) C4'-P energy: -146.859 bonds (distance) P-C4' energy: -146.481 flat angles C4'-P-C4' energy: -165.152 flat angles P-C4'-P energy: -125.242 tors. eta vs tors. theta energy: -227.726 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: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2746.830679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.830679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.830679 (E_RNA) where: Base-Base interactions energy: -1944.030 where: short stacking energy: -793.008 Base-Backbone interact. energy: 0.756 local terms energy: -803.556295 where: bonds (distance) C4'-P energy: -151.613 bonds (distance) P-C4' energy: -148.320 flat angles C4'-P-C4' energy: -169.826 flat angles P-C4'-P energy: -124.509 tors. eta vs tors. theta energy: -209.288 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: 368 Temperature: 1.100000 Total energy: -2616.327605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.327605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.327605 (E_RNA) where: Base-Base interactions energy: -1855.716 where: short stacking energy: -774.996 Base-Backbone interact. energy: -2.765 local terms energy: -757.846384 where: bonds (distance) C4'-P energy: -127.211 bonds (distance) P-C4' energy: -147.572 flat angles C4'-P-C4' energy: -159.959 flat angles P-C4'-P energy: -107.678 tors. eta vs tors. theta energy: -215.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2409.334721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.334721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.334721 (E_RNA) where: Base-Base interactions energy: -1684.153 where: short stacking energy: -713.414 Base-Backbone interact. energy: -5.340 local terms energy: -719.841089 where: bonds (distance) C4'-P energy: -136.837 bonds (distance) P-C4' energy: -152.007 flat angles C4'-P-C4' energy: -159.579 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -169.966 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: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2242.452681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.452681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.452681 (E_RNA) where: Base-Base interactions energy: -1588.514 where: short stacking energy: -665.843 Base-Backbone interact. energy: -4.065 local terms energy: -649.873471 where: bonds (distance) C4'-P energy: -116.627 bonds (distance) P-C4' energy: -137.551 flat angles C4'-P-C4' energy: -121.275 flat angles P-C4'-P energy: -104.698 tors. eta vs tors. theta energy: -169.723 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: 8, replica: 8 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -2160.862509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.862509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.862509 (E_RNA) where: Base-Base interactions energy: -1518.867 where: short stacking energy: -644.298 Base-Backbone interact. energy: -5.981 local terms energy: -636.014823 where: bonds (distance) C4'-P energy: -121.130 bonds (distance) P-C4' energy: -137.189 flat angles C4'-P-C4' energy: -153.524 flat angles P-C4'-P energy: -74.039 tors. eta vs tors. theta energy: -150.133 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: 9, replica: 9 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1889.638810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.638810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.638810 (E_RNA) where: Base-Base interactions energy: -1301.741 where: short stacking energy: -561.658 Base-Backbone interact. energy: 1.478 local terms energy: -589.375835 where: bonds (distance) C4'-P energy: -99.747 bonds (distance) P-C4' energy: -120.529 flat angles C4'-P-C4' energy: -145.742 flat angles P-C4'-P energy: -108.441 tors. eta vs tors. theta energy: -114.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1626.478851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.478851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.478851 (E_RNA) where: Base-Base interactions energy: -1093.575 where: short stacking energy: -501.032 Base-Backbone interact. energy: 3.836 local terms energy: -536.739772 where: bonds (distance) C4'-P energy: -117.885 bonds (distance) P-C4' energy: -105.970 flat angles C4'-P-C4' energy: -137.052 flat angles P-C4'-P energy: -77.104 tors. eta vs tors. theta energy: -98.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3116.637991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.637991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.637991 (E_RNA) where: Base-Base interactions energy: -2232.103 where: short stacking energy: -921.835 Base-Backbone interact. energy: -2.794 local terms energy: -881.740403 where: bonds (distance) C4'-P energy: -166.669 bonds (distance) P-C4' energy: -155.162 flat angles C4'-P-C4' energy: -188.345 flat angles P-C4'-P energy: -129.420 tors. eta vs tors. theta energy: -242.144 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: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -3012.760882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.760882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.760882 (E_RNA) where: Base-Base interactions energy: -2150.699 where: short stacking energy: -908.182 Base-Backbone interact. energy: 1.641 local terms energy: -863.702589 where: bonds (distance) C4'-P energy: -152.333 bonds (distance) P-C4' energy: -144.830 flat angles C4'-P-C4' energy: -183.412 flat angles P-C4'-P energy: -128.395 tors. eta vs tors. theta energy: -254.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2857.627977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.627977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.627977 (E_RNA) where: Base-Base interactions energy: -2063.054 where: short stacking energy: -835.682 Base-Backbone interact. energy: -3.423 local terms energy: -791.151523 where: bonds (distance) C4'-P energy: -154.958 bonds (distance) P-C4' energy: -128.618 flat angles C4'-P-C4' energy: -167.453 flat angles P-C4'-P energy: -111.065 tors. eta vs tors. theta energy: -229.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2767.369291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.369291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.369291 (E_RNA) where: Base-Base interactions energy: -1961.655 where: short stacking energy: -803.696 Base-Backbone interact. energy: -2.768 local terms energy: -802.946360 where: bonds (distance) C4'-P energy: -157.752 bonds (distance) P-C4' energy: -152.235 flat angles C4'-P-C4' energy: -171.359 flat angles P-C4'-P energy: -118.848 tors. eta vs tors. theta energy: -202.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2605.835259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.835259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.835259 (E_RNA) where: Base-Base interactions energy: -1850.400 where: short stacking energy: -751.176 Base-Backbone interact. energy: 2.185 local terms energy: -757.619733 where: bonds (distance) C4'-P energy: -148.402 bonds (distance) P-C4' energy: -148.850 flat angles C4'-P-C4' energy: -157.337 flat angles P-C4'-P energy: -95.064 tors. eta vs tors. theta energy: -207.967 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: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2350.047040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.047040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.047040 (E_RNA) where: Base-Base interactions energy: -1652.381 where: short stacking energy: -700.605 Base-Backbone interact. energy: -3.218 local terms energy: -694.448333 where: bonds (distance) C4'-P energy: -131.557 bonds (distance) P-C4' energy: -140.822 flat angles C4'-P-C4' energy: -155.102 flat angles P-C4'-P energy: -101.497 tors. eta vs tors. theta energy: -165.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2241.870448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.870448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.870448 (E_RNA) where: Base-Base interactions energy: -1586.496 where: short stacking energy: -643.511 Base-Backbone interact. energy: 0.819 local terms energy: -656.194165 where: bonds (distance) C4'-P energy: -130.089 bonds (distance) P-C4' energy: -116.157 flat angles C4'-P-C4' energy: -159.420 flat angles P-C4'-P energy: -90.194 tors. eta vs tors. theta energy: -160.334 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: 8, replica: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -2111.782417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.782417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.782417 (E_RNA) where: Base-Base interactions energy: -1481.998 where: short stacking energy: -609.351 Base-Backbone interact. energy: -5.650 local terms energy: -624.134361 where: bonds (distance) C4'-P energy: -111.664 bonds (distance) P-C4' energy: -135.019 flat angles C4'-P-C4' energy: -143.343 flat angles P-C4'-P energy: -80.005 tors. eta vs tors. theta energy: -154.104 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: 369 Temperature: 1.300000 Total energy: -1915.304702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.304702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.304702 (E_RNA) where: Base-Base interactions energy: -1338.915 where: short stacking energy: -566.420 Base-Backbone interact. energy: 1.991 local terms energy: -578.380174 where: bonds (distance) C4'-P energy: -101.716 bonds (distance) P-C4' energy: -140.995 flat angles C4'-P-C4' energy: -138.119 flat angles P-C4'-P energy: -72.292 tors. eta vs tors. theta energy: -125.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1652.055204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.055204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.055204 (E_RNA) where: Base-Base interactions energy: -1131.504 where: short stacking energy: -517.758 Base-Backbone interact. energy: 11.978 local terms energy: -532.529277 where: bonds (distance) C4'-P energy: -136.393 bonds (distance) P-C4' energy: -131.349 flat angles C4'-P-C4' energy: -106.857 flat angles P-C4'-P energy: -67.684 tors. eta vs tors. theta energy: -90.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3098.612023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.612023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.612023 (E_RNA) where: Base-Base interactions energy: -2225.192 where: short stacking energy: -901.830 Base-Backbone interact. energy: -1.144 local terms energy: -872.275996 where: bonds (distance) C4'-P energy: -152.638 bonds (distance) P-C4' energy: -153.032 flat angles C4'-P-C4' energy: -185.081 flat angles P-C4'-P energy: -129.269 tors. eta vs tors. theta energy: -252.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -3025.604709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.604709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.604709 (E_RNA) where: Base-Base interactions energy: -2152.927 where: short stacking energy: -905.409 Base-Backbone interact. energy: -1.835 local terms energy: -870.843440 where: bonds (distance) C4'-P energy: -146.520 bonds (distance) P-C4' energy: -148.567 flat angles C4'-P-C4' energy: -186.482 flat angles P-C4'-P energy: -123.618 tors. eta vs tors. theta energy: -265.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2889.468732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.468732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.468732 (E_RNA) where: Base-Base interactions energy: -2074.238 where: short stacking energy: -858.324 Base-Backbone interact. energy: 0.798 local terms energy: -816.029292 where: bonds (distance) C4'-P energy: -155.251 bonds (distance) P-C4' energy: -140.292 flat angles C4'-P-C4' energy: -183.515 flat angles P-C4'-P energy: -109.902 tors. eta vs tors. theta energy: -227.069 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: 10 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2782.280036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.280036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.280036 (E_RNA) where: Base-Base interactions energy: -2001.882 where: short stacking energy: -822.479 Base-Backbone interact. energy: -2.663 local terms energy: -777.734960 where: bonds (distance) C4'-P energy: -145.124 bonds (distance) P-C4' energy: -153.367 flat angles C4'-P-C4' energy: -164.367 flat angles P-C4'-P energy: -101.220 tors. eta vs tors. theta energy: -213.656 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: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2540.794654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.794654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.794654 (E_RNA) where: Base-Base interactions energy: -1824.749 where: short stacking energy: -757.169 Base-Backbone interact. energy: 1.299 local terms energy: -717.345066 where: bonds (distance) C4'-P energy: -123.309 bonds (distance) P-C4' energy: -140.149 flat angles C4'-P-C4' energy: -157.049 flat angles P-C4'-P energy: -104.735 tors. eta vs tors. theta energy: -192.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2388.871710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.871710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.871710 (E_RNA) where: Base-Base interactions energy: -1680.737 where: short stacking energy: -709.839 Base-Backbone interact. energy: -2.745 local terms energy: -705.388836 where: bonds (distance) C4'-P energy: -118.200 bonds (distance) P-C4' energy: -144.557 flat angles C4'-P-C4' energy: -172.622 flat angles P-C4'-P energy: -104.231 tors. eta vs tors. theta energy: -165.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2247.133906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.133906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.133906 (E_RNA) where: Base-Base interactions energy: -1589.599 where: short stacking energy: -699.986 Base-Backbone interact. energy: 0.275 local terms energy: -657.810707 where: bonds (distance) C4'-P energy: -131.680 bonds (distance) P-C4' energy: -133.316 flat angles C4'-P-C4' energy: -149.822 flat angles P-C4'-P energy: -88.458 tors. eta vs tors. theta energy: -154.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1965.809439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.809439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.809439 (E_RNA) where: Base-Base interactions energy: -1325.875 where: short stacking energy: -554.505 Base-Backbone interact. energy: -2.660 local terms energy: -637.274959 where: bonds (distance) C4'-P energy: -131.524 bonds (distance) P-C4' energy: -144.677 flat angles C4'-P-C4' energy: -128.404 flat angles P-C4'-P energy: -115.602 tors. eta vs tors. theta energy: -117.069 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: 9, replica: 9 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1900.411655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.411655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.411655 (E_RNA) where: Base-Base interactions energy: -1288.257 where: short stacking energy: -559.817 Base-Backbone interact. energy: -2.212 local terms energy: -609.942914 where: bonds (distance) C4'-P energy: -128.216 bonds (distance) P-C4' energy: -116.386 flat angles C4'-P-C4' energy: -152.802 flat angles P-C4'-P energy: -91.319 tors. eta vs tors. theta energy: -121.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1605.895692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.895692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.895692 (E_RNA) where: Base-Base interactions energy: -1072.709 where: short stacking energy: -476.748 Base-Backbone interact. energy: 2.314 local terms energy: -535.501003 where: bonds (distance) C4'-P energy: -135.929 bonds (distance) P-C4' energy: -126.838 flat angles C4'-P-C4' energy: -116.569 flat angles P-C4'-P energy: -83.668 tors. eta vs tors. theta energy: -72.496 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: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3120.716550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.716550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.716550 (E_RNA) where: Base-Base interactions energy: -2235.767 where: short stacking energy: -930.330 Base-Backbone interact. energy: -4.661 local terms energy: -880.288306 where: bonds (distance) C4'-P energy: -163.736 bonds (distance) P-C4' energy: -153.098 flat angles C4'-P-C4' energy: -174.832 flat angles P-C4'-P energy: -132.436 tors. eta vs tors. theta energy: -256.186 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: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2986.040677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.040677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.040677 (E_RNA) where: Base-Base interactions energy: -2130.854 where: short stacking energy: -901.374 Base-Backbone interact. energy: -4.298 local terms energy: -850.888716 where: bonds (distance) C4'-P energy: -164.462 bonds (distance) P-C4' energy: -138.036 flat angles C4'-P-C4' energy: -188.766 flat angles P-C4'-P energy: -114.044 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: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2825.638441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.638441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.638441 (E_RNA) where: Base-Base interactions energy: -2027.769 where: short stacking energy: -822.078 Base-Backbone interact. energy: -2.206 local terms energy: -795.663339 where: bonds (distance) C4'-P energy: -142.089 bonds (distance) P-C4' energy: -142.705 flat angles C4'-P-C4' energy: -163.878 flat angles P-C4'-P energy: -123.283 tors. eta vs tors. theta energy: -223.708 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: 4, replica: 10 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2760.663209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.663209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.663209 (E_RNA) where: Base-Base interactions energy: -1991.975 where: short stacking energy: -814.620 Base-Backbone interact. energy: 2.985 local terms energy: -771.672393 where: bonds (distance) C4'-P energy: -143.325 bonds (distance) P-C4' energy: -128.210 flat angles C4'-P-C4' energy: -168.322 flat angles P-C4'-P energy: -122.278 tors. eta vs tors. theta energy: -209.538 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: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2585.149519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.149519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.149519 (E_RNA) where: Base-Base interactions energy: -1810.365 where: short stacking energy: -785.961 Base-Backbone interact. energy: -3.839 local terms energy: -770.946111 where: bonds (distance) C4'-P energy: -141.788 bonds (distance) P-C4' energy: -163.496 flat angles C4'-P-C4' energy: -142.118 flat angles P-C4'-P energy: -110.565 tors. eta vs tors. theta energy: -212.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2330.227762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.227762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.227762 (E_RNA) where: Base-Base interactions energy: -1636.625 where: short stacking energy: -707.156 Base-Backbone interact. energy: -2.815 local terms energy: -690.788244 where: bonds (distance) C4'-P energy: -130.433 bonds (distance) P-C4' energy: -140.197 flat angles C4'-P-C4' energy: -160.180 flat angles P-C4'-P energy: -97.246 tors. eta vs tors. theta energy: -162.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2257.822182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.822182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.822182 (E_RNA) where: Base-Base interactions energy: -1552.707 where: short stacking energy: -679.274 Base-Backbone interact. energy: -4.429 local terms energy: -700.685467 where: bonds (distance) C4'-P energy: -152.081 bonds (distance) P-C4' energy: -130.189 flat angles C4'-P-C4' energy: -162.053 flat angles P-C4'-P energy: -91.526 tors. eta vs tors. theta energy: -164.835 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: 8, replica: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1944.007563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.007563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.007563 (E_RNA) where: Base-Base interactions energy: -1356.384 where: short stacking energy: -552.650 Base-Backbone interact. energy: 2.597 local terms energy: -590.220468 where: bonds (distance) C4'-P energy: -102.276 bonds (distance) P-C4' energy: -133.630 flat angles C4'-P-C4' energy: -143.290 flat angles P-C4'-P energy: -80.842 tors. eta vs tors. theta energy: -130.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1939.857312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.857312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.857312 (E_RNA) where: Base-Base interactions energy: -1333.829 where: short stacking energy: -567.288 Base-Backbone interact. energy: 6.787 local terms energy: -612.815669 where: bonds (distance) C4'-P energy: -126.513 bonds (distance) P-C4' energy: -138.763 flat angles C4'-P-C4' energy: -112.240 flat angles P-C4'-P energy: -89.999 tors. eta vs tors. theta energy: -145.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1535.202666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.202666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.202666 (E_RNA) where: Base-Base interactions energy: -1061.220 where: short stacking energy: -455.897 Base-Backbone interact. energy: 3.245 local terms energy: -477.227106 where: bonds (distance) C4'-P energy: -100.994 bonds (distance) P-C4' energy: -136.038 flat angles C4'-P-C4' energy: -105.387 flat angles P-C4'-P energy: -70.312 tors. eta vs tors. theta energy: -64.497 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: 7 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3079.482375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.482375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.482375 (E_RNA) where: Base-Base interactions energy: -2207.908 where: short stacking energy: -902.483 Base-Backbone interact. energy: -3.201 local terms energy: -868.373092 where: bonds (distance) C4'-P energy: -150.911 bonds (distance) P-C4' energy: -167.178 flat angles C4'-P-C4' energy: -180.591 flat angles P-C4'-P energy: -125.685 tors. eta vs tors. theta energy: -244.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -3015.579052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.579052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.579052 (E_RNA) where: Base-Base interactions energy: -2145.316 where: short stacking energy: -906.887 Base-Backbone interact. energy: 1.803 local terms energy: -872.066453 where: bonds (distance) C4'-P energy: -161.298 bonds (distance) P-C4' energy: -149.768 flat angles C4'-P-C4' energy: -183.691 flat angles P-C4'-P energy: -119.932 tors. eta vs tors. theta energy: -257.378 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: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2892.419309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.419309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.419309 (E_RNA) where: Base-Base interactions energy: -2060.891 where: short stacking energy: -843.799 Base-Backbone interact. energy: -5.484 local terms energy: -826.044247 where: bonds (distance) C4'-P energy: -140.130 bonds (distance) P-C4' energy: -163.313 flat angles C4'-P-C4' energy: -175.424 flat angles P-C4'-P energy: -116.655 tors. eta vs tors. theta energy: -230.523 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: 372 Temperature: 1.050000 Total energy: -2749.425091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.425091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.425091 (E_RNA) where: Base-Base interactions energy: -1961.952 where: short stacking energy: -815.627 Base-Backbone interact. energy: 1.451 local terms energy: -788.923796 where: bonds (distance) C4'-P energy: -135.499 bonds (distance) P-C4' energy: -161.174 flat angles C4'-P-C4' energy: -174.401 flat angles P-C4'-P energy: -104.805 tors. eta vs tors. theta energy: -213.045 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: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2622.535437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.535437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.535437 (E_RNA) where: Base-Base interactions energy: -1878.400 where: short stacking energy: -780.668 Base-Backbone interact. energy: 0.343 local terms energy: -744.478426 where: bonds (distance) C4'-P energy: -115.995 bonds (distance) P-C4' energy: -158.345 flat angles C4'-P-C4' energy: -169.359 flat angles P-C4'-P energy: -92.060 tors. eta vs tors. theta energy: -208.719 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: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2338.211563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.211563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.211563 (E_RNA) where: Base-Base interactions energy: -1638.726 where: short stacking energy: -725.100 Base-Backbone interact. energy: 1.366 local terms energy: -700.850913 where: bonds (distance) C4'-P energy: -136.607 bonds (distance) P-C4' energy: -151.422 flat angles C4'-P-C4' energy: -147.255 flat angles P-C4'-P energy: -91.278 tors. eta vs tors. theta energy: -174.290 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: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2270.274703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.274703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.274703 (E_RNA) where: Base-Base interactions energy: -1583.521 where: short stacking energy: -671.796 Base-Backbone interact. energy: -0.587 local terms energy: -686.166692 where: bonds (distance) C4'-P energy: -124.081 bonds (distance) P-C4' energy: -135.123 flat angles C4'-P-C4' energy: -160.588 flat angles P-C4'-P energy: -102.610 tors. eta vs tors. theta energy: -163.764 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: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1941.608717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.608717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.608717 (E_RNA) where: Base-Base interactions energy: -1319.087 where: short stacking energy: -553.974 Base-Backbone interact. energy: 4.686 local terms energy: -627.207232 where: bonds (distance) C4'-P energy: -145.403 bonds (distance) P-C4' energy: -150.694 flat angles C4'-P-C4' energy: -122.622 flat angles P-C4'-P energy: -92.654 tors. eta vs tors. theta energy: -115.834 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: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1891.609666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.609666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.609666 (E_RNA) where: Base-Base interactions energy: -1315.902 where: short stacking energy: -590.895 Base-Backbone interact. energy: -0.860 local terms energy: -574.847783 where: bonds (distance) C4'-P energy: -114.426 bonds (distance) P-C4' energy: -121.164 flat angles C4'-P-C4' energy: -137.895 flat angles P-C4'-P energy: -69.531 tors. eta vs tors. theta energy: -131.831 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: 10, replica: 6 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1599.242739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.242739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.242739 (E_RNA) where: Base-Base interactions energy: -1058.821 where: short stacking energy: -454.335 Base-Backbone interact. energy: 3.184 local terms energy: -543.605221 where: bonds (distance) C4'-P energy: -129.010 bonds (distance) P-C4' energy: -145.851 flat angles C4'-P-C4' energy: -126.687 flat angles P-C4'-P energy: -75.056 tors. eta vs tors. theta energy: -67.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3078.983831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.983831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.983831 (E_RNA) where: Base-Base interactions energy: -2187.189 where: short stacking energy: -895.925 Base-Backbone interact. energy: 1.973 local terms energy: -893.768445 where: bonds (distance) C4'-P energy: -162.098 bonds (distance) P-C4' energy: -176.245 flat angles C4'-P-C4' energy: -182.453 flat angles P-C4'-P energy: -134.421 tors. eta vs tors. theta energy: -238.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -3013.337339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.337339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.337339 (E_RNA) where: Base-Base interactions energy: -2141.345 where: short stacking energy: -906.411 Base-Backbone interact. energy: -2.215 local terms energy: -869.777835 where: bonds (distance) C4'-P energy: -151.938 bonds (distance) P-C4' energy: -161.611 flat angles C4'-P-C4' energy: -183.311 flat angles P-C4'-P energy: -114.585 tors. eta vs tors. theta energy: -258.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2860.540227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.540227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.540227 (E_RNA) where: Base-Base interactions energy: -2019.199 where: short stacking energy: -815.032 Base-Backbone interact. energy: -3.970 local terms energy: -837.371068 where: bonds (distance) C4'-P energy: -162.754 bonds (distance) P-C4' energy: -154.698 flat angles C4'-P-C4' energy: -174.251 flat angles P-C4'-P energy: -114.368 tors. eta vs tors. theta energy: -231.301 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: 373 Temperature: 1.050000 Total energy: -2747.750654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.750654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.750654 (E_RNA) where: Base-Base interactions energy: -1978.824 where: short stacking energy: -828.075 Base-Backbone interact. energy: 1.853 local terms energy: -770.780132 where: bonds (distance) C4'-P energy: -153.707 bonds (distance) P-C4' energy: -141.718 flat angles C4'-P-C4' energy: -181.431 flat angles P-C4'-P energy: -99.324 tors. eta vs tors. theta energy: -194.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2654.959196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.959196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.959196 (E_RNA) where: Base-Base interactions energy: -1860.421 where: short stacking energy: -784.180 Base-Backbone interact. energy: -0.937 local terms energy: -793.600745 where: bonds (distance) C4'-P energy: -134.766 bonds (distance) P-C4' energy: -147.875 flat angles C4'-P-C4' energy: -175.881 flat angles P-C4'-P energy: -114.410 tors. eta vs tors. theta energy: -220.669 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: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2359.813435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.813435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.813435 (E_RNA) where: Base-Base interactions energy: -1679.036 where: short stacking energy: -698.739 Base-Backbone interact. energy: -5.824 local terms energy: -674.953297 where: bonds (distance) C4'-P energy: -114.403 bonds (distance) P-C4' energy: -155.602 flat angles C4'-P-C4' energy: -152.367 flat angles P-C4'-P energy: -89.990 tors. eta vs tors. theta energy: -162.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2284.608458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.608458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.608458 (E_RNA) where: Base-Base interactions energy: -1637.669 where: short stacking energy: -700.862 Base-Backbone interact. energy: -2.613 local terms energy: -644.326505 where: bonds (distance) C4'-P energy: -127.615 bonds (distance) P-C4' energy: -114.622 flat angles C4'-P-C4' energy: -146.315 flat angles P-C4'-P energy: -96.170 tors. eta vs tors. theta energy: -159.605 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: 8 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1927.723786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.723786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.723786 (E_RNA) where: Base-Base interactions energy: -1323.382 where: short stacking energy: -563.481 Base-Backbone interact. energy: -1.651 local terms energy: -602.691350 where: bonds (distance) C4'-P energy: -124.086 bonds (distance) P-C4' energy: -137.504 flat angles C4'-P-C4' energy: -137.243 flat angles P-C4'-P energy: -80.343 tors. eta vs tors. theta energy: -123.515 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: 373 Temperature: 1.300000 Total energy: -1846.754577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.754577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.754577 (E_RNA) where: Base-Base interactions energy: -1239.876 where: short stacking energy: -547.390 Base-Backbone interact. energy: 2.966 local terms energy: -609.845024 where: bonds (distance) C4'-P energy: -129.313 bonds (distance) P-C4' energy: -151.433 flat angles C4'-P-C4' energy: -139.217 flat angles P-C4'-P energy: -83.560 tors. eta vs tors. theta energy: -106.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1619.145123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.145123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.145123 (E_RNA) where: Base-Base interactions energy: -1101.221 where: short stacking energy: -457.502 Base-Backbone interact. energy: -4.217 local terms energy: -513.707282 where: bonds (distance) C4'-P energy: -117.970 bonds (distance) P-C4' energy: -129.923 flat angles C4'-P-C4' energy: -116.935 flat angles P-C4'-P energy: -68.631 tors. eta vs tors. theta energy: -80.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3104.126248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.126248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.126248 (E_RNA) where: Base-Base interactions energy: -2231.198 where: short stacking energy: -924.872 Base-Backbone interact. energy: -3.734 local terms energy: -869.194988 where: bonds (distance) C4'-P energy: -149.056 bonds (distance) P-C4' energy: -166.305 flat angles C4'-P-C4' energy: -186.982 flat angles P-C4'-P energy: -117.385 tors. eta vs tors. theta energy: -249.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -3017.830318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.830318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.830318 (E_RNA) where: Base-Base interactions energy: -2145.063 where: short stacking energy: -898.882 Base-Backbone interact. energy: -2.518 local terms energy: -870.248607 where: bonds (distance) C4'-P energy: -157.916 bonds (distance) P-C4' energy: -147.283 flat angles C4'-P-C4' energy: -184.731 flat angles P-C4'-P energy: -123.669 tors. eta vs tors. theta energy: -256.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2872.440179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.440179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.440179 (E_RNA) where: Base-Base interactions energy: -2050.711 where: short stacking energy: -846.276 Base-Backbone interact. energy: -0.595 local terms energy: -821.134243 where: bonds (distance) C4'-P energy: -151.200 bonds (distance) P-C4' energy: -167.706 flat angles C4'-P-C4' energy: -175.686 flat angles P-C4'-P energy: -92.045 tors. eta vs tors. theta energy: -234.497 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: 4, replica: 10 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2779.896103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.896103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.896103 (E_RNA) where: Base-Base interactions energy: -1980.414 where: short stacking energy: -800.880 Base-Backbone interact. energy: -7.488 local terms energy: -791.993926 where: bonds (distance) C4'-P energy: -142.528 bonds (distance) P-C4' energy: -162.395 flat angles C4'-P-C4' energy: -169.183 flat angles P-C4'-P energy: -115.458 tors. eta vs tors. theta energy: -202.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2573.458932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.458932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.458932 (E_RNA) where: Base-Base interactions energy: -1795.573 where: short stacking energy: -761.181 Base-Backbone interact. energy: -1.197 local terms energy: -776.689121 where: bonds (distance) C4'-P energy: -134.576 bonds (distance) P-C4' energy: -152.920 flat angles C4'-P-C4' energy: -171.931 flat angles P-C4'-P energy: -121.089 tors. eta vs tors. theta energy: -196.173 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: 6, replica: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2362.525138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.525138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.525138 (E_RNA) where: Base-Base interactions energy: -1686.038 where: short stacking energy: -725.205 Base-Backbone interact. energy: -2.804 local terms energy: -673.683285 where: bonds (distance) C4'-P energy: -119.065 bonds (distance) P-C4' energy: -119.131 flat angles C4'-P-C4' energy: -159.647 flat angles P-C4'-P energy: -97.814 tors. eta vs tors. theta energy: -178.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2307.958794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.958794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.958794 (E_RNA) where: Base-Base interactions energy: -1622.881 where: short stacking energy: -686.520 Base-Backbone interact. energy: -1.207 local terms energy: -683.871112 where: bonds (distance) C4'-P energy: -137.645 bonds (distance) P-C4' energy: -124.287 flat angles C4'-P-C4' energy: -163.018 flat angles P-C4'-P energy: -97.698 tors. eta vs tors. theta energy: -161.224 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: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1947.984034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.984034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.984034 (E_RNA) where: Base-Base interactions energy: -1316.970 where: short stacking energy: -601.367 Base-Backbone interact. energy: 5.907 local terms energy: -636.920849 where: bonds (distance) C4'-P energy: -127.027 bonds (distance) P-C4' energy: -147.935 flat angles C4'-P-C4' energy: -125.743 flat angles P-C4'-P energy: -96.125 tors. eta vs tors. theta energy: -140.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1928.255594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.255594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.255594 (E_RNA) where: Base-Base interactions energy: -1335.954 where: short stacking energy: -557.137 Base-Backbone interact. energy: 4.017 local terms energy: -596.319272 where: bonds (distance) C4'-P energy: -111.025 bonds (distance) P-C4' energy: -141.716 flat angles C4'-P-C4' energy: -144.210 flat angles P-C4'-P energy: -90.161 tors. eta vs tors. theta energy: -109.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1638.349795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.349795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.349795 (E_RNA) where: Base-Base interactions energy: -1125.775 where: short stacking energy: -481.293 Base-Backbone interact. energy: -0.099 local terms energy: -512.475836 where: bonds (distance) C4'-P energy: -81.968 bonds (distance) P-C4' energy: -132.336 flat angles C4'-P-C4' energy: -134.157 flat angles P-C4'-P energy: -84.202 tors. eta vs tors. theta energy: -79.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3124.565027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.565027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.565027 (E_RNA) where: Base-Base interactions energy: -2228.523 where: short stacking energy: -931.113 Base-Backbone interact. energy: -2.535 local terms energy: -893.507327 where: bonds (distance) C4'-P energy: -154.354 bonds (distance) P-C4' energy: -179.991 flat angles C4'-P-C4' energy: -180.684 flat angles P-C4'-P energy: -128.723 tors. eta vs tors. theta energy: -249.755 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: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -3022.332299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.332299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.332299 (E_RNA) where: Base-Base interactions energy: -2140.636 where: short stacking energy: -915.373 Base-Backbone interact. energy: -6.008 local terms energy: -875.688444 where: bonds (distance) C4'-P energy: -147.777 bonds (distance) P-C4' energy: -168.034 flat angles C4'-P-C4' energy: -179.914 flat angles P-C4'-P energy: -118.557 tors. eta vs tors. theta energy: -261.406 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: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2862.350373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.350373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.350373 (E_RNA) where: Base-Base interactions energy: -2032.738 where: short stacking energy: -847.587 Base-Backbone interact. energy: -5.939 local terms energy: -823.672432 where: bonds (distance) C4'-P energy: -151.558 bonds (distance) P-C4' energy: -136.772 flat angles C4'-P-C4' energy: -174.788 flat angles P-C4'-P energy: -130.761 tors. eta vs tors. theta energy: -229.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2793.446225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.446225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.446225 (E_RNA) where: Base-Base interactions energy: -2021.670 where: short stacking energy: -809.748 Base-Backbone interact. energy: -1.524 local terms energy: -770.252031 where: bonds (distance) C4'-P energy: -147.839 bonds (distance) P-C4' energy: -128.311 flat angles C4'-P-C4' energy: -156.526 flat angles P-C4'-P energy: -112.236 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: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2580.813516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.813516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.813516 (E_RNA) where: Base-Base interactions energy: -1819.004 where: short stacking energy: -764.428 Base-Backbone interact. energy: -6.052 local terms energy: -755.757428 where: bonds (distance) C4'-P energy: -144.222 bonds (distance) P-C4' energy: -136.795 flat angles C4'-P-C4' energy: -165.552 flat angles P-C4'-P energy: -103.868 tors. eta vs tors. theta energy: -205.320 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: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2364.447900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.447900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.447900 (E_RNA) where: Base-Base interactions energy: -1667.361 where: short stacking energy: -701.559 Base-Backbone interact. energy: -4.422 local terms energy: -692.665045 where: bonds (distance) C4'-P energy: -109.480 bonds (distance) P-C4' energy: -159.903 flat angles C4'-P-C4' energy: -151.766 flat angles P-C4'-P energy: -99.768 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: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2297.669045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.669045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.669045 (E_RNA) where: Base-Base interactions energy: -1617.918 where: short stacking energy: -693.936 Base-Backbone interact. energy: -3.509 local terms energy: -676.242190 where: bonds (distance) C4'-P energy: -130.137 bonds (distance) P-C4' energy: -131.364 flat angles C4'-P-C4' energy: -156.111 flat angles P-C4'-P energy: -91.478 tors. eta vs tors. theta energy: -167.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1952.534238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.534238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.534238 (E_RNA) where: Base-Base interactions energy: -1362.039 where: short stacking energy: -576.244 Base-Backbone interact. energy: 3.524 local terms energy: -594.019381 where: bonds (distance) C4'-P energy: -136.022 bonds (distance) P-C4' energy: -140.009 flat angles C4'-P-C4' energy: -132.888 flat angles P-C4'-P energy: -61.623 tors. eta vs tors. theta energy: -123.478 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: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1974.531255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.531255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.531255 (E_RNA) where: Base-Base interactions energy: -1391.541 where: short stacking energy: -589.648 Base-Backbone interact. energy: 6.473 local terms energy: -589.464049 where: bonds (distance) C4'-P energy: -108.583 bonds (distance) P-C4' energy: -112.178 flat angles C4'-P-C4' energy: -142.596 flat angles P-C4'-P energy: -101.562 tors. eta vs tors. theta energy: -124.544 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: 6 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1718.962439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.962439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.962439 (E_RNA) where: Base-Base interactions energy: -1171.057 where: short stacking energy: -529.617 Base-Backbone interact. energy: 3.757 local terms energy: -551.662078 where: bonds (distance) C4'-P energy: -119.772 bonds (distance) P-C4' energy: -122.529 flat angles C4'-P-C4' energy: -121.127 flat angles P-C4'-P energy: -86.021 tors. eta vs tors. theta energy: -102.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3075.400341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.400341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.400341 (E_RNA) where: Base-Base interactions energy: -2187.317 where: short stacking energy: -921.823 Base-Backbone interact. energy: -2.756 local terms energy: -885.327351 where: bonds (distance) C4'-P energy: -149.120 bonds (distance) P-C4' energy: -162.353 flat angles C4'-P-C4' energy: -188.042 flat angles P-C4'-P energy: -129.892 tors. eta vs tors. theta energy: -255.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -3037.924803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.924803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.924803 (E_RNA) where: Base-Base interactions energy: -2173.625 where: short stacking energy: -922.335 Base-Backbone interact. energy: -4.447 local terms energy: -859.852878 where: bonds (distance) C4'-P energy: -143.051 bonds (distance) P-C4' energy: -159.149 flat angles C4'-P-C4' energy: -184.892 flat angles P-C4'-P energy: -118.919 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: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2863.719848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.719848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.719848 (E_RNA) where: Base-Base interactions energy: -2048.112 where: short stacking energy: -834.177 Base-Backbone interact. energy: 2.498 local terms energy: -818.105983 where: bonds (distance) C4'-P energy: -143.801 bonds (distance) P-C4' energy: -156.005 flat angles C4'-P-C4' energy: -175.787 flat angles P-C4'-P energy: -116.491 tors. eta vs tors. theta energy: -226.022 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: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2819.762424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.762424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.762424 (E_RNA) where: Base-Base interactions energy: -2047.241 where: short stacking energy: -844.502 Base-Backbone interact. energy: 6.029 local terms energy: -778.549739 where: bonds (distance) C4'-P energy: -126.550 bonds (distance) P-C4' energy: -145.153 flat angles C4'-P-C4' energy: -176.280 flat angles P-C4'-P energy: -110.824 tors. eta vs tors. theta energy: -219.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2548.918229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.918229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.918229 (E_RNA) where: Base-Base interactions energy: -1787.895 where: short stacking energy: -755.190 Base-Backbone interact. energy: -3.425 local terms energy: -757.597879 where: bonds (distance) C4'-P energy: -120.116 bonds (distance) P-C4' energy: -153.185 flat angles C4'-P-C4' energy: -173.507 flat angles P-C4'-P energy: -110.634 tors. eta vs tors. theta energy: -200.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2364.953201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.953201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.953201 (E_RNA) where: Base-Base interactions energy: -1667.637 where: short stacking energy: -687.555 Base-Backbone interact. energy: -2.854 local terms energy: -694.462528 where: bonds (distance) C4'-P energy: -138.478 bonds (distance) P-C4' energy: -133.241 flat angles C4'-P-C4' energy: -154.418 flat angles P-C4'-P energy: -100.147 tors. eta vs tors. theta energy: -168.179 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: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2255.504268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.504268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.504268 (E_RNA) where: Base-Base interactions energy: -1582.623 where: short stacking energy: -691.460 Base-Backbone interact. energy: -1.990 local terms energy: -670.890775 where: bonds (distance) C4'-P energy: -120.022 bonds (distance) P-C4' energy: -139.970 flat angles C4'-P-C4' energy: -148.020 flat angles P-C4'-P energy: -104.727 tors. eta vs tors. theta energy: -158.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1984.571267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.571267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.571267 (E_RNA) where: Base-Base interactions energy: -1340.251 where: short stacking energy: -576.270 Base-Backbone interact. energy: -2.762 local terms energy: -641.558908 where: bonds (distance) C4'-P energy: -146.512 bonds (distance) P-C4' energy: -141.992 flat angles C4'-P-C4' energy: -147.001 flat angles P-C4'-P energy: -68.230 tors. eta vs tors. theta energy: -137.824 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: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1948.949366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.949366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.949366 (E_RNA) where: Base-Base interactions energy: -1363.640 where: short stacking energy: -538.473 Base-Backbone interact. energy: 1.811 local terms energy: -587.119807 where: bonds (distance) C4'-P energy: -131.888 bonds (distance) P-C4' energy: -113.861 flat angles C4'-P-C4' energy: -135.664 flat angles P-C4'-P energy: -96.955 tors. eta vs tors. theta energy: -108.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1626.452231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.452231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.452231 (E_RNA) where: Base-Base interactions energy: -1090.441 where: short stacking energy: -489.395 Base-Backbone interact. energy: -1.780 local terms energy: -534.231018 where: bonds (distance) C4'-P energy: -120.935 bonds (distance) P-C4' energy: -138.525 flat angles C4'-P-C4' energy: -116.880 flat angles P-C4'-P energy: -70.817 tors. eta vs tors. theta energy: -87.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3113.934774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.934774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.934774 (E_RNA) where: Base-Base interactions energy: -2209.170 where: short stacking energy: -930.079 Base-Backbone interact. energy: -2.300 local terms energy: -902.464765 where: bonds (distance) C4'-P energy: -154.832 bonds (distance) P-C4' energy: -154.897 flat angles C4'-P-C4' energy: -202.955 flat angles P-C4'-P energy: -128.643 tors. eta vs tors. theta energy: -261.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -3041.809644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.809644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.809644 (E_RNA) where: Base-Base interactions energy: -2180.037 where: short stacking energy: -901.603 Base-Backbone interact. energy: -6.363 local terms energy: -855.408904 where: bonds (distance) C4'-P energy: -157.823 bonds (distance) P-C4' energy: -153.136 flat angles C4'-P-C4' energy: -171.038 flat angles P-C4'-P energy: -121.528 tors. eta vs tors. theta energy: -251.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2901.228082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.228082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.228082 (E_RNA) where: Base-Base interactions energy: -2063.914 where: short stacking energy: -861.810 Base-Backbone interact. energy: -2.150 local terms energy: -835.163799 where: bonds (distance) C4'-P energy: -151.089 bonds (distance) P-C4' energy: -160.109 flat angles C4'-P-C4' energy: -173.045 flat angles P-C4'-P energy: -116.138 tors. eta vs tors. theta energy: -234.782 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: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2790.929054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.929054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.929054 (E_RNA) where: Base-Base interactions energy: -2017.666 where: short stacking energy: -827.390 Base-Backbone interact. energy: -2.591 local terms energy: -770.671520 where: bonds (distance) C4'-P energy: -142.903 bonds (distance) P-C4' energy: -145.108 flat angles C4'-P-C4' energy: -172.750 flat angles P-C4'-P energy: -107.809 tors. eta vs tors. theta energy: -202.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2531.846792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.846792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.846792 (E_RNA) where: Base-Base interactions energy: -1803.844 where: short stacking energy: -774.647 Base-Backbone interact. energy: 3.295 local terms energy: -731.298430 where: bonds (distance) C4'-P energy: -124.539 bonds (distance) P-C4' energy: -139.693 flat angles C4'-P-C4' energy: -160.834 flat angles P-C4'-P energy: -115.988 tors. eta vs tors. theta energy: -190.245 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: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2409.658657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.658657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.658657 (E_RNA) where: Base-Base interactions energy: -1700.628 where: short stacking energy: -733.694 Base-Backbone interact. energy: 5.357 local terms energy: -714.387427 where: bonds (distance) C4'-P energy: -123.313 bonds (distance) P-C4' energy: -149.703 flat angles C4'-P-C4' energy: -163.347 flat angles P-C4'-P energy: -97.813 tors. eta vs tors. theta energy: -180.210 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: 7, replica: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2204.794853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.794853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.794853 (E_RNA) where: Base-Base interactions energy: -1521.387 where: short stacking energy: -656.633 Base-Backbone interact. energy: -2.490 local terms energy: -680.917499 where: bonds (distance) C4'-P energy: -130.865 bonds (distance) P-C4' energy: -138.349 flat angles C4'-P-C4' energy: -150.519 flat angles P-C4'-P energy: -108.569 tors. eta vs tors. theta energy: -152.616 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: 8 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1939.826009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.826009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.826009 (E_RNA) where: Base-Base interactions energy: -1318.529 where: short stacking energy: -531.286 Base-Backbone interact. energy: -0.552 local terms energy: -620.745127 where: bonds (distance) C4'-P energy: -124.373 bonds (distance) P-C4' energy: -157.162 flat angles C4'-P-C4' energy: -153.276 flat angles P-C4'-P energy: -83.095 tors. eta vs tors. theta energy: -102.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1918.124869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.124869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.124869 (E_RNA) where: Base-Base interactions energy: -1372.058 where: short stacking energy: -557.944 Base-Backbone interact. energy: -1.395 local terms energy: -544.671769 where: bonds (distance) C4'-P energy: -121.252 bonds (distance) P-C4' energy: -109.515 flat angles C4'-P-C4' energy: -137.571 flat angles P-C4'-P energy: -67.687 tors. eta vs tors. theta energy: -108.646 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: 6 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1704.580135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.580135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.580135 (E_RNA) where: Base-Base interactions energy: -1163.291 where: short stacking energy: -522.019 Base-Backbone interact. energy: -1.680 local terms energy: -539.608902 where: bonds (distance) C4'-P energy: -104.098 bonds (distance) P-C4' energy: -122.770 flat angles C4'-P-C4' energy: -132.192 flat angles P-C4'-P energy: -78.632 tors. eta vs tors. theta energy: -101.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3091.885419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.885419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.885419 (E_RNA) where: Base-Base interactions energy: -2206.737 where: short stacking energy: -940.235 Base-Backbone interact. energy: -2.219 local terms energy: -882.930195 where: bonds (distance) C4'-P energy: -153.310 bonds (distance) P-C4' energy: -152.852 flat angles C4'-P-C4' energy: -196.422 flat angles P-C4'-P energy: -117.977 tors. eta vs tors. theta energy: -262.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -3063.560723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.560723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.560723 (E_RNA) where: Base-Base interactions energy: -2206.995 where: short stacking energy: -920.616 Base-Backbone interact. energy: -3.613 local terms energy: -852.953065 where: bonds (distance) C4'-P energy: -137.920 bonds (distance) P-C4' energy: -162.383 flat angles C4'-P-C4' energy: -174.829 flat angles P-C4'-P energy: -120.192 tors. eta vs tors. theta energy: -257.629 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: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2897.678084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.678084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.678084 (E_RNA) where: Base-Base interactions energy: -2030.270 where: short stacking energy: -856.303 Base-Backbone interact. energy: -8.757 local terms energy: -858.651136 where: bonds (distance) C4'-P energy: -160.994 bonds (distance) P-C4' energy: -149.867 flat angles C4'-P-C4' energy: -176.871 flat angles P-C4'-P energy: -130.814 tors. eta vs tors. theta energy: -240.106 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: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2777.675721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.675721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.675721 (E_RNA) where: Base-Base interactions energy: -1968.002 where: short stacking energy: -823.880 Base-Backbone interact. energy: -1.971 local terms energy: -807.702769 where: bonds (distance) C4'-P energy: -155.031 bonds (distance) P-C4' energy: -148.721 flat angles C4'-P-C4' energy: -173.228 flat angles P-C4'-P energy: -119.079 tors. eta vs tors. theta energy: -211.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2529.583968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.583968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.583968 (E_RNA) where: Base-Base interactions energy: -1769.179 where: short stacking energy: -772.797 Base-Backbone interact. energy: -7.094 local terms energy: -753.310831 where: bonds (distance) C4'-P energy: -148.323 bonds (distance) P-C4' energy: -135.002 flat angles C4'-P-C4' energy: -166.366 flat angles P-C4'-P energy: -110.244 tors. eta vs tors. theta energy: -193.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2459.449375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.449375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.449375 (E_RNA) where: Base-Base interactions energy: -1761.679 where: short stacking energy: -775.130 Base-Backbone interact. energy: -2.992 local terms energy: -694.777926 where: bonds (distance) C4'-P energy: -122.834 bonds (distance) P-C4' energy: -130.799 flat angles C4'-P-C4' energy: -170.526 flat angles P-C4'-P energy: -81.640 tors. eta vs tors. theta energy: -188.979 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: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2225.035835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.035835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.035835 (E_RNA) where: Base-Base interactions energy: -1552.393 where: short stacking energy: -687.529 Base-Backbone interact. energy: -5.357 local terms energy: -667.285863 where: bonds (distance) C4'-P energy: -126.811 bonds (distance) P-C4' energy: -130.694 flat angles C4'-P-C4' energy: -155.687 flat angles P-C4'-P energy: -104.350 tors. eta vs tors. theta energy: -149.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -2033.407181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.407181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.407181 (E_RNA) where: Base-Base interactions energy: -1406.904 where: short stacking energy: -605.533 Base-Backbone interact. energy: -4.601 local terms energy: -621.902628 where: bonds (distance) C4'-P energy: -132.781 bonds (distance) P-C4' energy: -135.915 flat angles C4'-P-C4' energy: -131.711 flat angles P-C4'-P energy: -77.410 tors. eta vs tors. theta energy: -144.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1837.937974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.937974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.937974 (E_RNA) where: Base-Base interactions energy: -1285.692 where: short stacking energy: -554.606 Base-Backbone interact. energy: 3.213 local terms energy: -555.458714 where: bonds (distance) C4'-P energy: -128.501 bonds (distance) P-C4' energy: -117.484 flat angles C4'-P-C4' energy: -143.484 flat angles P-C4'-P energy: -68.510 tors. eta vs tors. theta energy: -97.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1793.266182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.266182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.266182 (E_RNA) where: Base-Base interactions energy: -1212.189 where: short stacking energy: -504.961 Base-Backbone interact. energy: -1.330 local terms energy: -579.747416 where: bonds (distance) C4'-P energy: -121.070 bonds (distance) P-C4' energy: -140.506 flat angles C4'-P-C4' energy: -148.565 flat angles P-C4'-P energy: -79.727 tors. eta vs tors. theta energy: -89.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3055.493393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.493393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.493393 (E_RNA) where: Base-Base interactions energy: -2196.879 where: short stacking energy: -921.546 Base-Backbone interact. energy: -2.525 local terms energy: -856.088965 where: bonds (distance) C4'-P energy: -155.682 bonds (distance) P-C4' energy: -143.048 flat angles C4'-P-C4' energy: -181.120 flat angles P-C4'-P energy: -120.694 tors. eta vs tors. theta energy: -255.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -3020.726143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.726143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.726143 (E_RNA) where: Base-Base interactions energy: -2161.252 where: short stacking energy: -898.352 Base-Backbone interact. energy: -2.781 local terms energy: -856.692603 where: bonds (distance) C4'-P energy: -146.795 bonds (distance) P-C4' energy: -154.840 flat angles C4'-P-C4' energy: -177.346 flat angles P-C4'-P energy: -127.686 tors. eta vs tors. theta energy: -250.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2896.968284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.968284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.968284 (E_RNA) where: Base-Base interactions energy: -2078.007 where: short stacking energy: -857.897 Base-Backbone interact. energy: -4.064 local terms energy: -814.897356 where: bonds (distance) C4'-P energy: -144.455 bonds (distance) P-C4' energy: -153.337 flat angles C4'-P-C4' energy: -175.869 flat angles P-C4'-P energy: -116.180 tors. eta vs tors. theta energy: -225.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2796.419669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.419669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.419669 (E_RNA) where: Base-Base interactions energy: -2015.318 where: short stacking energy: -808.603 Base-Backbone interact. energy: -6.396 local terms energy: -774.706458 where: bonds (distance) C4'-P energy: -155.027 bonds (distance) P-C4' energy: -156.934 flat angles C4'-P-C4' energy: -165.971 flat angles P-C4'-P energy: -99.970 tors. eta vs tors. theta energy: -196.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2539.815231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.815231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.815231 (E_RNA) where: Base-Base interactions energy: -1770.462 where: short stacking energy: -753.316 Base-Backbone interact. energy: -4.513 local terms energy: -764.840519 where: bonds (distance) C4'-P energy: -131.719 bonds (distance) P-C4' energy: -141.888 flat angles C4'-P-C4' energy: -180.267 flat angles P-C4'-P energy: -107.526 tors. eta vs tors. theta energy: -203.441 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: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2478.403582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.403582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.403582 (E_RNA) where: Base-Base interactions energy: -1751.453 where: short stacking energy: -734.918 Base-Backbone interact. energy: -2.000 local terms energy: -724.950526 where: bonds (distance) C4'-P energy: -134.425 bonds (distance) P-C4' energy: -141.429 flat angles C4'-P-C4' energy: -166.765 flat angles P-C4'-P energy: -98.201 tors. eta vs tors. theta energy: -184.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2277.295749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.295749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.295749 (E_RNA) where: Base-Base interactions energy: -1578.262 where: short stacking energy: -666.063 Base-Backbone interact. energy: -0.259 local terms energy: -698.775237 where: bonds (distance) C4'-P energy: -137.533 bonds (distance) P-C4' energy: -155.271 flat angles C4'-P-C4' energy: -159.339 flat angles P-C4'-P energy: -91.208 tors. eta vs tors. theta energy: -155.424 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: 8 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -2038.015393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.015393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.015393 (E_RNA) where: Base-Base interactions energy: -1431.150 where: short stacking energy: -632.687 Base-Backbone interact. energy: 3.245 local terms energy: -610.110432 where: bonds (distance) C4'-P energy: -109.355 bonds (distance) P-C4' energy: -130.963 flat angles C4'-P-C4' energy: -133.558 flat angles P-C4'-P energy: -90.372 tors. eta vs tors. theta energy: -145.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1752.769801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.769801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.769801 (E_RNA) where: Base-Base interactions energy: -1203.976 where: short stacking energy: -524.026 Base-Backbone interact. energy: -4.819 local terms energy: -543.974757 where: bonds (distance) C4'-P energy: -120.838 bonds (distance) P-C4' energy: -113.623 flat angles C4'-P-C4' energy: -136.300 flat angles P-C4'-P energy: -72.414 tors. eta vs tors. theta energy: -100.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1855.308958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.308958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.308958 (E_RNA) where: Base-Base interactions energy: -1276.272 where: short stacking energy: -550.248 Base-Backbone interact. energy: 0.135 local terms energy: -579.172283 where: bonds (distance) C4'-P energy: -122.368 bonds (distance) P-C4' energy: -122.601 flat angles C4'-P-C4' energy: -134.257 flat angles P-C4'-P energy: -82.772 tors. eta vs tors. theta energy: -117.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3074.558949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.558949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.558949 (E_RNA) where: Base-Base interactions energy: -2160.001 where: short stacking energy: -916.426 Base-Backbone interact. energy: -3.802 local terms energy: -910.755730 where: bonds (distance) C4'-P energy: -165.439 bonds (distance) P-C4' energy: -162.514 flat angles C4'-P-C4' energy: -179.988 flat angles P-C4'-P energy: -140.636 tors. eta vs tors. theta energy: -262.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -3001.207930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.207930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.207930 (E_RNA) where: Base-Base interactions energy: -2171.309 where: short stacking energy: -907.473 Base-Backbone interact. energy: -3.227 local terms energy: -826.672303 where: bonds (distance) C4'-P energy: -145.367 bonds (distance) P-C4' energy: -152.546 flat angles C4'-P-C4' energy: -176.675 flat angles P-C4'-P energy: -109.567 tors. eta vs tors. theta energy: -242.516 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: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2889.141325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.141325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.141325 (E_RNA) where: Base-Base interactions energy: -2062.236 where: short stacking energy: -848.022 Base-Backbone interact. energy: -1.295 local terms energy: -825.609716 where: bonds (distance) C4'-P energy: -135.641 bonds (distance) P-C4' energy: -161.282 flat angles C4'-P-C4' energy: -189.484 flat angles P-C4'-P energy: -113.761 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: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2769.518816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.518816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.518816 (E_RNA) where: Base-Base interactions energy: -1992.931 where: short stacking energy: -829.305 Base-Backbone interact. energy: -0.388 local terms energy: -776.199584 where: bonds (distance) C4'-P energy: -130.718 bonds (distance) P-C4' energy: -147.920 flat angles C4'-P-C4' energy: -171.960 flat angles P-C4'-P energy: -117.299 tors. eta vs tors. theta energy: -208.303 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: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2547.229587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.229587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.229587 (E_RNA) where: Base-Base interactions energy: -1769.325 where: short stacking energy: -748.577 Base-Backbone interact. energy: -2.035 local terms energy: -775.869725 where: bonds (distance) C4'-P energy: -153.604 bonds (distance) P-C4' energy: -134.755 flat angles C4'-P-C4' energy: -170.469 flat angles P-C4'-P energy: -113.230 tors. eta vs tors. theta energy: -203.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2466.097071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.097071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.097071 (E_RNA) where: Base-Base interactions energy: -1728.965 where: short stacking energy: -713.708 Base-Backbone interact. energy: -4.592 local terms energy: -732.540083 where: bonds (distance) C4'-P energy: -148.007 bonds (distance) P-C4' energy: -138.456 flat angles C4'-P-C4' energy: -155.502 flat angles P-C4'-P energy: -107.860 tors. eta vs tors. theta energy: -182.716 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: 2 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2290.708872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.708872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.708872 (E_RNA) where: Base-Base interactions energy: -1599.376 where: short stacking energy: -700.194 Base-Backbone interact. energy: -0.100 local terms energy: -691.232466 where: bonds (distance) C4'-P energy: -132.023 bonds (distance) P-C4' energy: -125.937 flat angles C4'-P-C4' energy: -159.106 flat angles P-C4'-P energy: -95.401 tors. eta vs tors. theta energy: -178.765 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: 8 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1955.215526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.215526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.215526 (E_RNA) where: Base-Base interactions energy: -1375.494 where: short stacking energy: -548.605 Base-Backbone interact. energy: -1.572 local terms energy: -578.149016 where: bonds (distance) C4'-P energy: -135.124 bonds (distance) P-C4' energy: -118.711 flat angles C4'-P-C4' energy: -137.277 flat angles P-C4'-P energy: -68.246 tors. eta vs tors. theta energy: -118.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1796.751912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.751912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.751912 (E_RNA) where: Base-Base interactions energy: -1182.448 where: short stacking energy: -533.915 Base-Backbone interact. energy: -1.854 local terms energy: -612.449102 where: bonds (distance) C4'-P energy: -131.546 bonds (distance) P-C4' energy: -153.698 flat angles C4'-P-C4' energy: -131.279 flat angles P-C4'-P energy: -71.306 tors. eta vs tors. theta energy: -124.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1809.485733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.485733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.485733 (E_RNA) where: Base-Base interactions energy: -1252.691 where: short stacking energy: -503.453 Base-Backbone interact. energy: 4.267 local terms energy: -561.061893 where: bonds (distance) C4'-P energy: -132.293 bonds (distance) P-C4' energy: -124.876 flat angles C4'-P-C4' energy: -111.561 flat angles P-C4'-P energy: -89.033 tors. eta vs tors. theta energy: -103.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3109.574336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.574336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.574336 (E_RNA) where: Base-Base interactions energy: -2198.827 where: short stacking energy: -919.770 Base-Backbone interact. energy: 0.938 local terms energy: -911.685320 where: bonds (distance) C4'-P energy: -161.818 bonds (distance) P-C4' energy: -172.442 flat angles C4'-P-C4' energy: -187.537 flat angles P-C4'-P energy: -129.560 tors. eta vs tors. theta energy: -260.327 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: 7 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -3010.570882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.570882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.570882 (E_RNA) where: Base-Base interactions energy: -2169.990 where: short stacking energy: -908.928 Base-Backbone interact. energy: -2.516 local terms energy: -838.064913 where: bonds (distance) C4'-P energy: -147.037 bonds (distance) P-C4' energy: -156.520 flat angles C4'-P-C4' energy: -189.667 flat angles P-C4'-P energy: -100.744 tors. eta vs tors. theta energy: -244.098 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: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2913.470877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.470877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.470877 (E_RNA) where: Base-Base interactions energy: -2068.313 where: short stacking energy: -853.540 Base-Backbone interact. energy: -2.422 local terms energy: -842.735896 where: bonds (distance) C4'-P energy: -163.822 bonds (distance) P-C4' energy: -160.079 flat angles C4'-P-C4' energy: -170.541 flat angles P-C4'-P energy: -112.645 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: 381 Temperature: 1.050000 Total energy: -2782.730225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.730225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.730225 (E_RNA) where: Base-Base interactions energy: -1994.894 where: short stacking energy: -840.207 Base-Backbone interact. energy: 1.449 local terms energy: -789.286059 where: bonds (distance) C4'-P energy: -135.856 bonds (distance) P-C4' energy: -147.545 flat angles C4'-P-C4' energy: -176.874 flat angles P-C4'-P energy: -109.831 tors. eta vs tors. theta energy: -219.180 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: 381 Temperature: 1.100000 Total energy: -2513.188848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.188848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.188848 (E_RNA) where: Base-Base interactions energy: -1727.798 where: short stacking energy: -763.256 Base-Backbone interact. energy: 0.636 local terms energy: -786.027377 where: bonds (distance) C4'-P energy: -146.252 bonds (distance) P-C4' energy: -158.647 flat angles C4'-P-C4' energy: -154.621 flat angles P-C4'-P energy: -107.893 tors. eta vs tors. theta energy: -218.614 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: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2418.338406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.338406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.338406 (E_RNA) where: Base-Base interactions energy: -1691.820 where: short stacking energy: -698.556 Base-Backbone interact. energy: -5.763 local terms energy: -720.755176 where: bonds (distance) C4'-P energy: -160.003 bonds (distance) P-C4' energy: -137.143 flat angles C4'-P-C4' energy: -143.278 flat angles P-C4'-P energy: -99.681 tors. eta vs tors. theta energy: -180.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2313.793031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.793031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.793031 (E_RNA) where: Base-Base interactions energy: -1639.433 where: short stacking energy: -691.986 Base-Backbone interact. energy: -4.580 local terms energy: -669.780414 where: bonds (distance) C4'-P energy: -121.726 bonds (distance) P-C4' energy: -128.943 flat angles C4'-P-C4' energy: -146.746 flat angles P-C4'-P energy: -95.052 tors. eta vs tors. theta energy: -177.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1899.990309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.990309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.990309 (E_RNA) where: Base-Base interactions energy: -1293.584 where: short stacking energy: -543.180 Base-Backbone interact. energy: 3.306 local terms energy: -609.711985 where: bonds (distance) C4'-P energy: -134.616 bonds (distance) P-C4' energy: -129.941 flat angles C4'-P-C4' energy: -128.699 flat angles P-C4'-P energy: -101.267 tors. eta vs tors. theta energy: -115.188 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: 6 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1673.766174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.766174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.766174 (E_RNA) where: Base-Base interactions energy: -1121.289 where: short stacking energy: -518.118 Base-Backbone interact. energy: -3.099 local terms energy: -549.378640 where: bonds (distance) C4'-P energy: -132.580 bonds (distance) P-C4' energy: -114.350 flat angles C4'-P-C4' energy: -128.106 flat angles P-C4'-P energy: -79.969 tors. eta vs tors. theta energy: -94.373 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: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1824.375776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.375776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.375776 (E_RNA) where: Base-Base interactions energy: -1306.154 where: short stacking energy: -542.925 Base-Backbone interact. energy: -1.610 local terms energy: -516.611398 where: bonds (distance) C4'-P energy: -114.480 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -109.243 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -110.652 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: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3099.037033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.037033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.037033 (E_RNA) where: Base-Base interactions energy: -2202.462 where: short stacking energy: -961.891 Base-Backbone interact. energy: -5.216 local terms energy: -891.359199 where: bonds (distance) C4'-P energy: -160.347 bonds (distance) P-C4' energy: -162.830 flat angles C4'-P-C4' energy: -184.179 flat angles P-C4'-P energy: -119.367 tors. eta vs tors. theta energy: -264.636 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: 7 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -3037.318125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.318125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.318125 (E_RNA) where: Base-Base interactions energy: -2191.436 where: short stacking energy: -905.655 Base-Backbone interact. energy: -0.278 local terms energy: -845.604564 where: bonds (distance) C4'-P energy: -143.293 bonds (distance) P-C4' energy: -155.643 flat angles C4'-P-C4' energy: -189.134 flat angles P-C4'-P energy: -112.419 tors. eta vs tors. theta energy: -245.115 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: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2881.226052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.226052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.226052 (E_RNA) where: Base-Base interactions energy: -2047.411 where: short stacking energy: -818.766 Base-Backbone interact. energy: 0.284 local terms energy: -834.099925 where: bonds (distance) C4'-P energy: -149.786 bonds (distance) P-C4' energy: -153.816 flat angles C4'-P-C4' energy: -167.465 flat angles P-C4'-P energy: -125.560 tors. eta vs tors. theta energy: -237.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2806.287004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.287004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.287004 (E_RNA) where: Base-Base interactions energy: -2032.246 where: short stacking energy: -845.177 Base-Backbone interact. energy: -3.320 local terms energy: -770.721263 where: bonds (distance) C4'-P energy: -152.154 bonds (distance) P-C4' energy: -136.442 flat angles C4'-P-C4' energy: -159.365 flat angles P-C4'-P energy: -115.607 tors. eta vs tors. theta energy: -207.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2538.105205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.105205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.105205 (E_RNA) where: Base-Base interactions energy: -1809.964 where: short stacking energy: -769.820 Base-Backbone interact. energy: 1.187 local terms energy: -729.328263 where: bonds (distance) C4'-P energy: -139.260 bonds (distance) P-C4' energy: -141.298 flat angles C4'-P-C4' energy: -153.569 flat angles P-C4'-P energy: -104.784 tors. eta vs tors. theta energy: -190.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2465.540234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.540234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.540234 (E_RNA) where: Base-Base interactions energy: -1740.659 where: short stacking energy: -726.292 Base-Backbone interact. energy: -1.191 local terms energy: -723.690265 where: bonds (distance) C4'-P energy: -135.501 bonds (distance) P-C4' energy: -121.557 flat angles C4'-P-C4' energy: -162.089 flat angles P-C4'-P energy: -119.468 tors. eta vs tors. theta energy: -185.075 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: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2293.984008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.984008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.984008 (E_RNA) where: Base-Base interactions energy: -1578.636 where: short stacking energy: -668.476 Base-Backbone interact. energy: -2.652 local terms energy: -712.695866 where: bonds (distance) C4'-P energy: -134.280 bonds (distance) P-C4' energy: -147.737 flat angles C4'-P-C4' energy: -166.441 flat angles P-C4'-P energy: -103.328 tors. eta vs tors. theta energy: -160.910 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: 8 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1889.602016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.602016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.602016 (E_RNA) where: Base-Base interactions energy: -1294.066 where: short stacking energy: -571.996 Base-Backbone interact. energy: -4.011 local terms energy: -591.525578 where: bonds (distance) C4'-P energy: -112.265 bonds (distance) P-C4' energy: -132.114 flat angles C4'-P-C4' energy: -142.249 flat angles P-C4'-P energy: -84.515 tors. eta vs tors. theta energy: -120.382 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: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1901.167859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.167859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.167859 (E_RNA) where: Base-Base interactions energy: -1370.772 where: short stacking energy: -579.820 Base-Backbone interact. energy: 2.477 local terms energy: -532.872872 where: bonds (distance) C4'-P energy: -104.909 bonds (distance) P-C4' energy: -112.219 flat angles C4'-P-C4' energy: -117.706 flat angles P-C4'-P energy: -74.273 tors. eta vs tors. theta energy: -123.766 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: 6 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1625.704058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.704058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.704058 (E_RNA) where: Base-Base interactions energy: -1065.341 where: short stacking energy: -444.381 Base-Backbone interact. energy: -3.322 local terms energy: -557.041011 where: bonds (distance) C4'-P energy: -113.994 bonds (distance) P-C4' energy: -146.133 flat angles C4'-P-C4' energy: -132.492 flat angles P-C4'-P energy: -82.795 tors. eta vs tors. theta energy: -81.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3077.740722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.740722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.740722 (E_RNA) where: Base-Base interactions energy: -2176.393 where: short stacking energy: -938.528 Base-Backbone interact. energy: -1.354 local terms energy: -899.993218 where: bonds (distance) C4'-P energy: -165.146 bonds (distance) P-C4' energy: -161.462 flat angles C4'-P-C4' energy: -190.252 flat angles P-C4'-P energy: -119.110 tors. eta vs tors. theta energy: -264.023 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: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -3000.404376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.404376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.404376 (E_RNA) where: Base-Base interactions energy: -2156.194 where: short stacking energy: -873.246 Base-Backbone interact. energy: -8.372 local terms energy: -835.838763 where: bonds (distance) C4'-P energy: -154.566 bonds (distance) P-C4' energy: -152.266 flat angles C4'-P-C4' energy: -177.327 flat angles P-C4'-P energy: -116.756 tors. eta vs tors. theta energy: -234.924 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: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2877.646678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.646678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.646678 (E_RNA) where: Base-Base interactions energy: -2056.844 where: short stacking energy: -849.972 Base-Backbone interact. energy: -1.666 local terms energy: -819.137063 where: bonds (distance) C4'-P energy: -148.732 bonds (distance) P-C4' energy: -153.679 flat angles C4'-P-C4' energy: -170.494 flat angles P-C4'-P energy: -109.012 tors. eta vs tors. theta energy: -237.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2766.279307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.279307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.279307 (E_RNA) where: Base-Base interactions energy: -2007.985 where: short stacking energy: -833.035 Base-Backbone interact. energy: 1.730 local terms energy: -760.024303 where: bonds (distance) C4'-P energy: -123.204 bonds (distance) P-C4' energy: -151.891 flat angles C4'-P-C4' energy: -165.553 flat angles P-C4'-P energy: -112.029 tors. eta vs tors. theta energy: -207.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2539.883336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.883336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.883336 (E_RNA) where: Base-Base interactions energy: -1818.959 where: short stacking energy: -769.299 Base-Backbone interact. energy: -3.379 local terms energy: -717.545520 where: bonds (distance) C4'-P energy: -132.487 bonds (distance) P-C4' energy: -126.217 flat angles C4'-P-C4' energy: -173.465 flat angles P-C4'-P energy: -97.945 tors. eta vs tors. theta energy: -187.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2463.995304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.995304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.995304 (E_RNA) where: Base-Base interactions energy: -1750.806 where: short stacking energy: -720.571 Base-Backbone interact. energy: -3.863 local terms energy: -709.326391 where: bonds (distance) C4'-P energy: -134.803 bonds (distance) P-C4' energy: -147.609 flat angles C4'-P-C4' energy: -146.026 flat angles P-C4'-P energy: -97.229 tors. eta vs tors. theta energy: -183.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2335.532709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.532709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.532709 (E_RNA) where: Base-Base interactions energy: -1659.610 where: short stacking energy: -691.248 Base-Backbone interact. energy: -3.863 local terms energy: -672.059442 where: bonds (distance) C4'-P energy: -132.698 bonds (distance) P-C4' energy: -129.771 flat angles C4'-P-C4' energy: -146.046 flat angles P-C4'-P energy: -98.034 tors. eta vs tors. theta energy: -165.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1928.806323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.806323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.806323 (E_RNA) where: Base-Base interactions energy: -1355.063 where: short stacking energy: -547.719 Base-Backbone interact. energy: -1.376 local terms energy: -572.367124 where: bonds (distance) C4'-P energy: -120.261 bonds (distance) P-C4' energy: -114.845 flat angles C4'-P-C4' energy: -144.625 flat angles P-C4'-P energy: -76.589 tors. eta vs tors. theta energy: -116.047 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: 383 Temperature: 1.300000 Total energy: -1810.705676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.705676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.705676 (E_RNA) where: Base-Base interactions energy: -1246.370 where: short stacking energy: -541.218 Base-Backbone interact. energy: -1.991 local terms energy: -562.344994 where: bonds (distance) C4'-P energy: -111.750 bonds (distance) P-C4' energy: -114.919 flat angles C4'-P-C4' energy: -146.822 flat angles P-C4'-P energy: -62.439 tors. eta vs tors. theta energy: -126.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1619.820847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.820847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.820847 (E_RNA) where: Base-Base interactions energy: -1086.491 where: short stacking energy: -462.608 Base-Backbone interact. energy: -3.410 local terms energy: -529.919528 where: bonds (distance) C4'-P energy: -121.158 bonds (distance) P-C4' energy: -120.040 flat angles C4'-P-C4' energy: -136.770 flat angles P-C4'-P energy: -75.473 tors. eta vs tors. theta energy: -76.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3086.882271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.882271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.882271 (E_RNA) where: Base-Base interactions energy: -2183.053 where: short stacking energy: -922.564 Base-Backbone interact. energy: -7.092 local terms energy: -896.737725 where: bonds (distance) C4'-P energy: -149.885 bonds (distance) P-C4' energy: -173.301 flat angles C4'-P-C4' energy: -184.403 flat angles P-C4'-P energy: -134.396 tors. eta vs tors. theta energy: -254.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -3003.550707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.550707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.550707 (E_RNA) where: Base-Base interactions energy: -2153.898 where: short stacking energy: -860.405 Base-Backbone interact. energy: -7.979 local terms energy: -841.674245 where: bonds (distance) C4'-P energy: -153.456 bonds (distance) P-C4' energy: -162.396 flat angles C4'-P-C4' energy: -172.901 flat angles P-C4'-P energy: -118.725 tors. eta vs tors. theta energy: -234.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2902.146134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.146134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.146134 (E_RNA) where: Base-Base interactions energy: -2073.713 where: short stacking energy: -833.589 Base-Backbone interact. energy: -3.804 local terms energy: -824.628308 where: bonds (distance) C4'-P energy: -144.119 bonds (distance) P-C4' energy: -159.299 flat angles C4'-P-C4' energy: -181.520 flat angles P-C4'-P energy: -112.228 tors. eta vs tors. theta energy: -227.462 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: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2778.801675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.801675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.801675 (E_RNA) where: Base-Base interactions energy: -2019.067 where: short stacking energy: -838.698 Base-Backbone interact. energy: 0.979 local terms energy: -760.714257 where: bonds (distance) C4'-P energy: -134.836 bonds (distance) P-C4' energy: -144.464 flat angles C4'-P-C4' energy: -167.929 flat angles P-C4'-P energy: -99.742 tors. eta vs tors. theta energy: -213.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2586.414610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.414610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.414610 (E_RNA) where: Base-Base interactions energy: -1819.586 where: short stacking energy: -778.470 Base-Backbone interact. energy: -4.279 local terms energy: -762.549994 where: bonds (distance) C4'-P energy: -148.269 bonds (distance) P-C4' energy: -135.753 flat angles C4'-P-C4' energy: -161.512 flat angles P-C4'-P energy: -106.934 tors. eta vs tors. theta energy: -210.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2460.851640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.851640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.851640 (E_RNA) where: Base-Base interactions energy: -1799.087 where: short stacking energy: -734.744 Base-Backbone interact. energy: 2.667 local terms energy: -664.431794 where: bonds (distance) C4'-P energy: -122.176 bonds (distance) P-C4' energy: -123.207 flat angles C4'-P-C4' energy: -146.988 flat angles P-C4'-P energy: -97.743 tors. eta vs tors. theta energy: -174.318 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: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2322.540548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.540548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.540548 (E_RNA) where: Base-Base interactions energy: -1647.064 where: short stacking energy: -705.242 Base-Backbone interact. energy: -1.970 local terms energy: -673.506305 where: bonds (distance) C4'-P energy: -129.528 bonds (distance) P-C4' energy: -130.054 flat angles C4'-P-C4' energy: -145.972 flat angles P-C4'-P energy: -96.592 tors. eta vs tors. theta energy: -171.361 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: 8, replica: 8 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1943.371931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.371931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.371931 (E_RNA) where: Base-Base interactions energy: -1356.277 where: short stacking energy: -556.988 Base-Backbone interact. energy: -6.429 local terms energy: -580.665784 where: bonds (distance) C4'-P energy: -106.922 bonds (distance) P-C4' energy: -125.411 flat angles C4'-P-C4' energy: -147.917 flat angles P-C4'-P energy: -86.531 tors. eta vs tors. theta energy: -113.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1931.906603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.906603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.906603 (E_RNA) where: Base-Base interactions energy: -1332.078 where: short stacking energy: -563.808 Base-Backbone interact. energy: -3.324 local terms energy: -596.503736 where: bonds (distance) C4'-P energy: -128.327 bonds (distance) P-C4' energy: -133.830 flat angles C4'-P-C4' energy: -128.883 flat angles P-C4'-P energy: -74.274 tors. eta vs tors. theta energy: -131.190 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: 384 Temperature: 1.350000 Total energy: -1590.161629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.161629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.161629 (E_RNA) where: Base-Base interactions energy: -1056.486 where: short stacking energy: -462.751 Base-Backbone interact. energy: 4.513 local terms energy: -538.188537 where: bonds (distance) C4'-P energy: -118.456 bonds (distance) P-C4' energy: -116.741 flat angles C4'-P-C4' energy: -133.308 flat angles P-C4'-P energy: -79.802 tors. eta vs tors. theta energy: -89.881 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: 1, replica: 1 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3105.038245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.038245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.038245 (E_RNA) where: Base-Base interactions energy: -2218.608 where: short stacking energy: -936.209 Base-Backbone interact. energy: -2.949 local terms energy: -883.481319 where: bonds (distance) C4'-P energy: -157.957 bonds (distance) P-C4' energy: -154.751 flat angles C4'-P-C4' energy: -192.090 flat angles P-C4'-P energy: -124.125 tors. eta vs tors. theta energy: -254.558 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: 2, replica: 7 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -3013.821667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.821667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.821667 (E_RNA) where: Base-Base interactions energy: -2187.065 where: short stacking energy: -891.994 Base-Backbone interact. energy: 6.367 local terms energy: -833.124260 where: bonds (distance) C4'-P energy: -157.997 bonds (distance) P-C4' energy: -147.702 flat angles C4'-P-C4' energy: -162.563 flat angles P-C4'-P energy: -130.170 tors. eta vs tors. theta energy: -234.692 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: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2891.450895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.450895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.450895 (E_RNA) where: Base-Base interactions energy: -2080.153 where: short stacking energy: -868.032 Base-Backbone interact. energy: 1.590 local terms energy: -812.888186 where: bonds (distance) C4'-P energy: -134.051 bonds (distance) P-C4' energy: -152.784 flat angles C4'-P-C4' energy: -175.959 flat angles P-C4'-P energy: -113.769 tors. eta vs tors. theta energy: -236.325 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: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2781.864020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.864020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.864020 (E_RNA) where: Base-Base interactions energy: -1975.877 where: short stacking energy: -816.448 Base-Backbone interact. energy: -3.870 local terms energy: -802.117092 where: bonds (distance) C4'-P energy: -148.031 bonds (distance) P-C4' energy: -154.076 flat angles C4'-P-C4' energy: -173.719 flat angles P-C4'-P energy: -116.906 tors. eta vs tors. theta energy: -209.385 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: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2514.885302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.885302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.885302 (E_RNA) where: Base-Base interactions energy: -1782.317 where: short stacking energy: -733.289 Base-Backbone interact. energy: -5.005 local terms energy: -727.563493 where: bonds (distance) C4'-P energy: -128.585 bonds (distance) P-C4' energy: -142.162 flat angles C4'-P-C4' energy: -158.870 flat angles P-C4'-P energy: -103.685 tors. eta vs tors. theta energy: -194.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2482.209362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.209362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.209362 (E_RNA) where: Base-Base interactions energy: -1782.399 where: short stacking energy: -705.382 Base-Backbone interact. energy: -2.331 local terms energy: -697.478956 where: bonds (distance) C4'-P energy: -129.430 bonds (distance) P-C4' energy: -139.648 flat angles C4'-P-C4' energy: -158.240 flat angles P-C4'-P energy: -98.599 tors. eta vs tors. theta energy: -171.562 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: 2 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2271.656949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.656949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.656949 (E_RNA) where: Base-Base interactions energy: -1628.904 where: short stacking energy: -676.389 Base-Backbone interact. energy: -2.321 local terms energy: -640.431543 where: bonds (distance) C4'-P energy: -130.194 bonds (distance) P-C4' energy: -137.383 flat angles C4'-P-C4' energy: -131.133 flat angles P-C4'-P energy: -91.357 tors. eta vs tors. theta energy: -150.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1879.563095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.563095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.563095 (E_RNA) where: Base-Base interactions energy: -1276.545 where: short stacking energy: -534.096 Base-Backbone interact. energy: -0.977 local terms energy: -602.040865 where: bonds (distance) C4'-P energy: -139.171 bonds (distance) P-C4' energy: -117.749 flat angles C4'-P-C4' energy: -139.177 flat angles P-C4'-P energy: -100.679 tors. eta vs tors. theta energy: -105.265 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: 385 Temperature: 1.300000 Total energy: -1873.745787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.745787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.745787 (E_RNA) where: Base-Base interactions energy: -1246.256 where: short stacking energy: -538.742 Base-Backbone interact. energy: -3.738 local terms energy: -623.751438 where: bonds (distance) C4'-P energy: -127.742 bonds (distance) P-C4' energy: -147.626 flat angles C4'-P-C4' energy: -153.533 flat angles P-C4'-P energy: -83.223 tors. eta vs tors. theta energy: -111.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1547.127516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.127516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.127516 (E_RNA) where: Base-Base interactions energy: -1053.426 where: short stacking energy: -444.737 Base-Backbone interact. energy: 3.962 local terms energy: -497.663396 where: bonds (distance) C4'-P energy: -134.449 bonds (distance) P-C4' energy: -125.122 flat angles C4'-P-C4' energy: -102.005 flat angles P-C4'-P energy: -75.297 tors. eta vs tors. theta energy: -60.790 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: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3066.728141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.728141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.728141 (E_RNA) where: Base-Base interactions energy: -2212.002 where: short stacking energy: -895.981 Base-Backbone interact. energy: 0.733 local terms energy: -855.459552 where: bonds (distance) C4'-P energy: -146.114 bonds (distance) P-C4' energy: -162.295 flat angles C4'-P-C4' energy: -192.428 flat angles P-C4'-P energy: -119.835 tors. eta vs tors. theta energy: -234.787 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: 2, replica: 1 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -3032.984998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.984998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.984998 (E_RNA) where: Base-Base interactions energy: -2143.599 where: short stacking energy: -896.904 Base-Backbone interact. energy: -3.934 local terms energy: -885.452148 where: bonds (distance) C4'-P energy: -162.784 bonds (distance) P-C4' energy: -163.197 flat angles C4'-P-C4' energy: -178.728 flat angles P-C4'-P energy: -127.875 tors. eta vs tors. theta energy: -252.868 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: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2931.634116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.634116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.634116 (E_RNA) where: Base-Base interactions energy: -2106.585 where: short stacking energy: -867.496 Base-Backbone interact. energy: -5.380 local terms energy: -819.668950 where: bonds (distance) C4'-P energy: -152.634 bonds (distance) P-C4' energy: -160.600 flat angles C4'-P-C4' energy: -184.277 flat angles P-C4'-P energy: -99.552 tors. eta vs tors. theta energy: -222.606 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: 386 Temperature: 1.050000 Total energy: -2781.453331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.453331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.453331 (E_RNA) where: Base-Base interactions energy: -1974.816 where: short stacking energy: -829.499 Base-Backbone interact. energy: -5.583 local terms energy: -801.054338 where: bonds (distance) C4'-P energy: -142.626 bonds (distance) P-C4' energy: -164.420 flat angles C4'-P-C4' energy: -165.769 flat angles P-C4'-P energy: -109.891 tors. eta vs tors. theta energy: -218.348 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: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2499.725918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.725918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.725918 (E_RNA) where: Base-Base interactions energy: -1774.309 where: short stacking energy: -742.697 Base-Backbone interact. energy: -3.913 local terms energy: -721.503850 where: bonds (distance) C4'-P energy: -126.297 bonds (distance) P-C4' energy: -149.562 flat angles C4'-P-C4' energy: -147.071 flat angles P-C4'-P energy: -99.845 tors. eta vs tors. theta energy: -198.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2470.066298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.066298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.066298 (E_RNA) where: Base-Base interactions energy: -1789.373 where: short stacking energy: -736.993 Base-Backbone interact. energy: -2.303 local terms energy: -678.390617 where: bonds (distance) C4'-P energy: -123.889 bonds (distance) P-C4' energy: -133.549 flat angles C4'-P-C4' energy: -149.544 flat angles P-C4'-P energy: -101.517 tors. eta vs tors. theta energy: -169.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2293.750049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.750049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.750049 (E_RNA) where: Base-Base interactions energy: -1618.842 where: short stacking energy: -688.554 Base-Backbone interact. energy: 6.196 local terms energy: -681.103880 where: bonds (distance) C4'-P energy: -123.226 bonds (distance) P-C4' energy: -138.613 flat angles C4'-P-C4' energy: -157.352 flat angles P-C4'-P energy: -102.040 tors. eta vs tors. theta energy: -159.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1875.834712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.834712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.834712 (E_RNA) where: Base-Base interactions energy: -1267.519 where: short stacking energy: -540.257 Base-Backbone interact. energy: 0.387 local terms energy: -608.702589 where: bonds (distance) C4'-P energy: -126.295 bonds (distance) P-C4' energy: -138.938 flat angles C4'-P-C4' energy: -151.184 flat angles P-C4'-P energy: -81.938 tors. eta vs tors. theta energy: -110.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1858.484382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.484382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.484382 (E_RNA) where: Base-Base interactions energy: -1277.295 where: short stacking energy: -551.558 Base-Backbone interact. energy: -0.191 local terms energy: -580.997678 where: bonds (distance) C4'-P energy: -134.145 bonds (distance) P-C4' energy: -115.732 flat angles C4'-P-C4' energy: -140.272 flat angles P-C4'-P energy: -62.606 tors. eta vs tors. theta energy: -128.242 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: 6 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1579.660814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.660814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.660814 (E_RNA) where: Base-Base interactions energy: -1079.043 where: short stacking energy: -443.915 Base-Backbone interact. energy: 9.853 local terms energy: -510.470830 where: bonds (distance) C4'-P energy: -123.396 bonds (distance) P-C4' energy: -150.882 flat angles C4'-P-C4' energy: -122.193 flat angles P-C4'-P energy: -60.661 tors. eta vs tors. theta energy: -53.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3071.177052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.177052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.177052 (E_RNA) where: Base-Base interactions energy: -2215.044 where: short stacking energy: -904.444 Base-Backbone interact. energy: -2.846 local terms energy: -853.286836 where: bonds (distance) C4'-P energy: -167.110 bonds (distance) P-C4' energy: -149.260 flat angles C4'-P-C4' energy: -178.939 flat angles P-C4'-P energy: -116.706 tors. eta vs tors. theta energy: -241.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -3019.393290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.393290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.393290 (E_RNA) where: Base-Base interactions energy: -2166.862 where: short stacking energy: -917.274 Base-Backbone interact. energy: -0.113 local terms energy: -852.417723 where: bonds (distance) C4'-P energy: -153.945 bonds (distance) P-C4' energy: -145.498 flat angles C4'-P-C4' energy: -174.252 flat angles P-C4'-P energy: -132.127 tors. eta vs tors. theta energy: -246.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2894.441202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.441202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.441202 (E_RNA) where: Base-Base interactions energy: -2083.305 where: short stacking energy: -818.696 Base-Backbone interact. energy: -6.965 local terms energy: -804.170674 where: bonds (distance) C4'-P energy: -149.653 bonds (distance) P-C4' energy: -146.714 flat angles C4'-P-C4' energy: -162.809 flat angles P-C4'-P energy: -118.922 tors. eta vs tors. theta energy: -226.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2765.012106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.012106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.012106 (E_RNA) where: Base-Base interactions energy: -1961.693 where: short stacking energy: -816.874 Base-Backbone interact. energy: -5.666 local terms energy: -797.652621 where: bonds (distance) C4'-P energy: -140.958 bonds (distance) P-C4' energy: -160.346 flat angles C4'-P-C4' energy: -175.253 flat angles P-C4'-P energy: -112.491 tors. eta vs tors. theta energy: -208.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2568.683273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.683273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.683273 (E_RNA) where: Base-Base interactions energy: -1834.523 where: short stacking energy: -756.384 Base-Backbone interact. energy: -3.809 local terms energy: -730.350459 where: bonds (distance) C4'-P energy: -145.475 bonds (distance) P-C4' energy: -131.779 flat angles C4'-P-C4' energy: -161.565 flat angles P-C4'-P energy: -105.728 tors. eta vs tors. theta energy: -185.803 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: 387 Temperature: 1.150000 Total energy: -2494.600575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.600575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.600575 (E_RNA) where: Base-Base interactions energy: -1830.521 where: short stacking energy: -750.082 Base-Backbone interact. energy: 6.515 local terms energy: -670.594579 where: bonds (distance) C4'-P energy: -132.157 bonds (distance) P-C4' energy: -120.325 flat angles C4'-P-C4' energy: -141.245 flat angles P-C4'-P energy: -104.722 tors. eta vs tors. theta energy: -172.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2267.426670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.426670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.426670 (E_RNA) where: Base-Base interactions energy: -1609.725 where: short stacking energy: -682.082 Base-Backbone interact. energy: 0.418 local terms energy: -658.119790 where: bonds (distance) C4'-P energy: -118.710 bonds (distance) P-C4' energy: -139.962 flat angles C4'-P-C4' energy: -135.612 flat angles P-C4'-P energy: -104.452 tors. eta vs tors. theta energy: -159.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1995.959157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.959157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.959157 (E_RNA) where: Base-Base interactions energy: -1355.265 where: short stacking energy: -578.551 Base-Backbone interact. energy: 2.405 local terms energy: -643.099308 where: bonds (distance) C4'-P energy: -115.272 bonds (distance) P-C4' energy: -141.001 flat angles C4'-P-C4' energy: -150.547 flat angles P-C4'-P energy: -95.052 tors. eta vs tors. theta energy: -141.227 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: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1829.601700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.601700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.601700 (E_RNA) where: Base-Base interactions energy: -1216.288 where: short stacking energy: -505.589 Base-Backbone interact. energy: 3.969 local terms energy: -617.282568 where: bonds (distance) C4'-P energy: -154.420 bonds (distance) P-C4' energy: -129.386 flat angles C4'-P-C4' energy: -146.967 flat angles P-C4'-P energy: -76.755 tors. eta vs tors. theta energy: -109.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1577.643814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.643814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.643814 (E_RNA) where: Base-Base interactions energy: -1048.663 where: short stacking energy: -439.021 Base-Backbone interact. energy: 0.484 local terms energy: -529.464932 where: bonds (distance) C4'-P energy: -135.316 bonds (distance) P-C4' energy: -144.442 flat angles C4'-P-C4' energy: -127.233 flat angles P-C4'-P energy: -44.284 tors. eta vs tors. theta energy: -78.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3070.119051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.119051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.119051 (E_RNA) where: Base-Base interactions energy: -2141.841 where: short stacking energy: -888.535 Base-Backbone interact. energy: -6.460 local terms energy: -921.818136 where: bonds (distance) C4'-P energy: -165.888 bonds (distance) P-C4' energy: -170.899 flat angles C4'-P-C4' energy: -202.415 flat angles P-C4'-P energy: -125.558 tors. eta vs tors. theta energy: -257.059 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: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -3031.303622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.303622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.303622 (E_RNA) where: Base-Base interactions energy: -2193.536 where: short stacking energy: -893.477 Base-Backbone interact. energy: -6.333 local terms energy: -831.434412 where: bonds (distance) C4'-P energy: -146.281 bonds (distance) P-C4' energy: -162.953 flat angles C4'-P-C4' energy: -172.235 flat angles P-C4'-P energy: -111.311 tors. eta vs tors. theta energy: -238.654 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: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2910.358457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.358457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.358457 (E_RNA) where: Base-Base interactions energy: -2098.092 where: short stacking energy: -853.104 Base-Backbone interact. energy: -2.058 local terms energy: -810.207693 where: bonds (distance) C4'-P energy: -143.544 bonds (distance) P-C4' energy: -137.324 flat angles C4'-P-C4' energy: -184.985 flat angles P-C4'-P energy: -118.819 tors. eta vs tors. theta energy: -225.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2737.123812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.123812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.123812 (E_RNA) where: Base-Base interactions energy: -1963.151 where: short stacking energy: -805.417 Base-Backbone interact. energy: -1.877 local terms energy: -772.095673 where: bonds (distance) C4'-P energy: -131.525 bonds (distance) P-C4' energy: -153.236 flat angles C4'-P-C4' energy: -179.695 flat angles P-C4'-P energy: -108.778 tors. eta vs tors. theta energy: -198.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2571.550705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.550705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.550705 (E_RNA) where: Base-Base interactions energy: -1829.757 where: short stacking energy: -772.404 Base-Backbone interact. energy: -3.802 local terms energy: -737.992172 where: bonds (distance) C4'-P energy: -125.372 bonds (distance) P-C4' energy: -138.287 flat angles C4'-P-C4' energy: -159.807 flat angles P-C4'-P energy: -103.766 tors. eta vs tors. theta energy: -210.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2530.963653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.963653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.963653 (E_RNA) where: Base-Base interactions energy: -1819.950 where: short stacking energy: -741.058 Base-Backbone interact. energy: 0.864 local terms energy: -711.876840 where: bonds (distance) C4'-P energy: -147.779 bonds (distance) P-C4' energy: -126.017 flat angles C4'-P-C4' energy: -149.404 flat angles P-C4'-P energy: -101.161 tors. eta vs tors. theta energy: -187.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2307.154932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.154932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.154932 (E_RNA) where: Base-Base interactions energy: -1620.334 where: short stacking energy: -669.419 Base-Backbone interact. energy: 0.257 local terms energy: -687.077532 where: bonds (distance) C4'-P energy: -135.537 bonds (distance) P-C4' energy: -139.036 flat angles C4'-P-C4' energy: -160.418 flat angles P-C4'-P energy: -93.845 tors. eta vs tors. theta energy: -158.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1995.682673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.682673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.682673 (E_RNA) where: Base-Base interactions energy: -1363.380 where: short stacking energy: -605.981 Base-Backbone interact. energy: 1.079 local terms energy: -633.381554 where: bonds (distance) C4'-P energy: -125.924 bonds (distance) P-C4' energy: -125.994 flat angles C4'-P-C4' energy: -144.443 flat angles P-C4'-P energy: -92.771 tors. eta vs tors. theta energy: -144.251 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: -1845.807544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.807544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.807544 (E_RNA) where: Base-Base interactions energy: -1244.586 where: short stacking energy: -510.275 Base-Backbone interact. energy: 3.032 local terms energy: -604.254015 where: bonds (distance) C4'-P energy: -134.844 bonds (distance) P-C4' energy: -129.806 flat angles C4'-P-C4' energy: -145.118 flat angles P-C4'-P energy: -84.896 tors. eta vs tors. theta energy: -109.590 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: 6 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1622.117448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.117448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.117448 (E_RNA) where: Base-Base interactions energy: -1066.366 where: short stacking energy: -485.342 Base-Backbone interact. energy: -1.228 local terms energy: -554.523598 where: bonds (distance) C4'-P energy: -113.245 bonds (distance) P-C4' energy: -126.917 flat angles C4'-P-C4' energy: -147.669 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -92.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3079.283918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.283918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.283918 (E_RNA) where: Base-Base interactions energy: -2206.547 where: short stacking energy: -951.503 Base-Backbone interact. energy: -1.348 local terms energy: -871.389057 where: bonds (distance) C4'-P energy: -149.079 bonds (distance) P-C4' energy: -156.442 flat angles C4'-P-C4' energy: -191.055 flat angles P-C4'-P energy: -115.748 tors. eta vs tors. theta energy: -259.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -3019.196961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.196961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.196961 (E_RNA) where: Base-Base interactions energy: -2176.293 where: short stacking energy: -889.424 Base-Backbone interact. energy: 1.041 local terms energy: -843.944905 where: bonds (distance) C4'-P energy: -140.642 bonds (distance) P-C4' energy: -155.846 flat angles C4'-P-C4' energy: -177.350 flat angles P-C4'-P energy: -131.740 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: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2873.250533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.250533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.250533 (E_RNA) where: Base-Base interactions energy: -2070.191 where: short stacking energy: -857.994 Base-Backbone interact. energy: -0.944 local terms energy: -802.115986 where: bonds (distance) C4'-P energy: -136.239 bonds (distance) P-C4' energy: -156.548 flat angles C4'-P-C4' energy: -169.844 flat angles P-C4'-P energy: -105.597 tors. eta vs tors. theta energy: -233.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2745.811273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.811273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.811273 (E_RNA) where: Base-Base interactions energy: -1965.511 where: short stacking energy: -818.450 Base-Backbone interact. energy: -0.162 local terms energy: -780.137899 where: bonds (distance) C4'-P energy: -147.713 bonds (distance) P-C4' energy: -139.957 flat angles C4'-P-C4' energy: -175.020 flat angles P-C4'-P energy: -98.257 tors. eta vs tors. theta energy: -219.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2587.441003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.441003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.441003 (E_RNA) where: Base-Base interactions energy: -1833.009 where: short stacking energy: -776.072 Base-Backbone interact. energy: -5.121 local terms energy: -749.311188 where: bonds (distance) C4'-P energy: -125.286 bonds (distance) P-C4' energy: -148.005 flat angles C4'-P-C4' energy: -157.727 flat angles P-C4'-P energy: -112.884 tors. eta vs tors. theta energy: -205.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2538.831919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.831919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.831919 (E_RNA) where: Base-Base interactions energy: -1820.770 where: short stacking energy: -767.168 Base-Backbone interact. energy: -3.030 local terms energy: -715.031206 where: bonds (distance) C4'-P energy: -136.073 bonds (distance) P-C4' energy: -132.932 flat angles C4'-P-C4' energy: -155.271 flat angles P-C4'-P energy: -99.812 tors. eta vs tors. theta energy: -190.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2322.126840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.126840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.126840 (E_RNA) where: Base-Base interactions energy: -1627.882 where: short stacking energy: -674.285 Base-Backbone interact. energy: -3.685 local terms energy: -690.560047 where: bonds (distance) C4'-P energy: -129.428 bonds (distance) P-C4' energy: -141.647 flat angles C4'-P-C4' energy: -152.359 flat angles P-C4'-P energy: -102.041 tors. eta vs tors. theta energy: -165.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -2091.092687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.092687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.092687 (E_RNA) where: Base-Base interactions energy: -1444.802 where: short stacking energy: -614.513 Base-Backbone interact. energy: -3.314 local terms energy: -642.976874 where: bonds (distance) C4'-P energy: -110.945 bonds (distance) P-C4' energy: -143.579 flat angles C4'-P-C4' energy: -142.245 flat angles P-C4'-P energy: -99.752 tors. eta vs tors. theta energy: -146.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1841.415660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.415660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.415660 (E_RNA) where: Base-Base interactions energy: -1221.408 where: short stacking energy: -532.202 Base-Backbone interact. energy: 5.820 local terms energy: -625.828228 where: bonds (distance) C4'-P energy: -124.315 bonds (distance) P-C4' energy: -136.775 flat angles C4'-P-C4' energy: -141.076 flat angles P-C4'-P energy: -96.134 tors. eta vs tors. theta energy: -127.528 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: 10, replica: 6 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1560.973592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.973592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.973592 (E_RNA) where: Base-Base interactions energy: -1035.580 where: short stacking energy: -438.833 Base-Backbone interact. energy: 5.280 local terms energy: -530.673631 where: bonds (distance) C4'-P energy: -136.108 bonds (distance) P-C4' energy: -126.829 flat angles C4'-P-C4' energy: -105.631 flat angles P-C4'-P energy: -90.078 tors. eta vs tors. theta energy: -72.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3079.817007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.817007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.817007 (E_RNA) where: Base-Base interactions energy: -2220.134 where: short stacking energy: -912.585 Base-Backbone interact. energy: -1.438 local terms energy: -858.244923 where: bonds (distance) C4'-P energy: -157.403 bonds (distance) P-C4' energy: -150.769 flat angles C4'-P-C4' energy: -193.361 flat angles P-C4'-P energy: -120.435 tors. eta vs tors. theta energy: -236.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2998.255470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.255470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.255470 (E_RNA) where: Base-Base interactions energy: -2119.192 where: short stacking energy: -883.998 Base-Backbone interact. energy: -2.309 local terms energy: -876.754502 where: bonds (distance) C4'-P energy: -156.819 bonds (distance) P-C4' energy: -161.420 flat angles C4'-P-C4' energy: -183.621 flat angles P-C4'-P energy: -118.419 tors. eta vs tors. theta energy: -256.475 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: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2894.552014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.552014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.552014 (E_RNA) where: Base-Base interactions energy: -2090.822 where: short stacking energy: -879.861 Base-Backbone interact. energy: -2.014 local terms energy: -801.716312 where: bonds (distance) C4'-P energy: -126.972 bonds (distance) P-C4' energy: -136.225 flat angles C4'-P-C4' energy: -182.438 flat angles P-C4'-P energy: -118.356 tors. eta vs tors. theta energy: -237.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2778.952633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.952633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.952633 (E_RNA) where: Base-Base interactions energy: -1995.735 where: short stacking energy: -812.793 Base-Backbone interact. energy: -2.368 local terms energy: -780.850286 where: bonds (distance) C4'-P energy: -143.015 bonds (distance) P-C4' energy: -129.281 flat angles C4'-P-C4' energy: -175.609 flat angles P-C4'-P energy: -120.516 tors. eta vs tors. theta energy: -212.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2602.568684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.568684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.568684 (E_RNA) where: Base-Base interactions energy: -1861.802 where: short stacking energy: -784.312 Base-Backbone interact. energy: -2.288 local terms energy: -738.478880 where: bonds (distance) C4'-P energy: -140.794 bonds (distance) P-C4' energy: -138.532 flat angles C4'-P-C4' energy: -161.302 flat angles P-C4'-P energy: -106.069 tors. eta vs tors. theta energy: -191.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2509.150512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.150512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.150512 (E_RNA) where: Base-Base interactions energy: -1771.219 where: short stacking energy: -753.068 Base-Backbone interact. energy: 0.613 local terms energy: -738.543694 where: bonds (distance) C4'-P energy: -130.098 bonds (distance) P-C4' energy: -141.179 flat angles C4'-P-C4' energy: -169.579 flat angles P-C4'-P energy: -104.558 tors. eta vs tors. theta energy: -193.129 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: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2318.716036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.716036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.716036 (E_RNA) where: Base-Base interactions energy: -1631.927 where: short stacking energy: -679.219 Base-Backbone interact. energy: -3.382 local terms energy: -683.407183 where: bonds (distance) C4'-P energy: -135.078 bonds (distance) P-C4' energy: -147.456 flat angles C4'-P-C4' energy: -163.100 flat angles P-C4'-P energy: -87.417 tors. eta vs tors. theta energy: -150.356 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: 390 Temperature: 1.250000 Total energy: -2023.430760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.430760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.430760 (E_RNA) where: Base-Base interactions energy: -1399.175 where: short stacking energy: -587.688 Base-Backbone interact. energy: -2.493 local terms energy: -621.762585 where: bonds (distance) C4'-P energy: -119.352 bonds (distance) P-C4' energy: -130.369 flat angles C4'-P-C4' energy: -133.147 flat angles P-C4'-P energy: -103.461 tors. eta vs tors. theta energy: -135.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1864.387042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.387042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.387042 (E_RNA) where: Base-Base interactions energy: -1304.520 where: short stacking energy: -554.774 Base-Backbone interact. energy: -2.653 local terms energy: -557.214318 where: bonds (distance) C4'-P energy: -128.364 bonds (distance) P-C4' energy: -101.377 flat angles C4'-P-C4' energy: -145.899 flat angles P-C4'-P energy: -75.562 tors. eta vs tors. theta energy: -106.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1575.569954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.569954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.569954 (E_RNA) where: Base-Base interactions energy: -1075.020 where: short stacking energy: -495.647 Base-Backbone interact. energy: -0.502 local terms energy: -500.048077 where: bonds (distance) C4'-P energy: -117.160 bonds (distance) P-C4' energy: -118.636 flat angles C4'-P-C4' energy: -124.611 flat angles P-C4'-P energy: -59.818 tors. eta vs tors. theta energy: -79.823 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: 7 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3081.197092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.197092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.197092 (E_RNA) where: Base-Base interactions energy: -2222.448 where: short stacking energy: -913.905 Base-Backbone interact. energy: -5.060 local terms energy: -853.688901 where: bonds (distance) C4'-P energy: -161.239 bonds (distance) P-C4' energy: -152.041 flat angles C4'-P-C4' energy: -176.085 flat angles P-C4'-P energy: -119.810 tors. eta vs tors. theta energy: -244.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2992.314141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.314141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.314141 (E_RNA) where: Base-Base interactions energy: -2128.205 where: short stacking energy: -904.672 Base-Backbone interact. energy: 1.147 local terms energy: -865.255766 where: bonds (distance) C4'-P energy: -145.023 bonds (distance) P-C4' energy: -157.244 flat angles C4'-P-C4' energy: -190.998 flat angles P-C4'-P energy: -119.276 tors. eta vs tors. theta energy: -252.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2872.960791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.960791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.960791 (E_RNA) where: Base-Base interactions energy: -2034.848 where: short stacking energy: -833.464 Base-Backbone interact. energy: -3.267 local terms energy: -834.846376 where: bonds (distance) C4'-P energy: -157.193 bonds (distance) P-C4' energy: -165.501 flat angles C4'-P-C4' energy: -164.673 flat angles P-C4'-P energy: -120.472 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: 4, replica: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2767.665846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.665846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.665846 (E_RNA) where: Base-Base interactions energy: -1978.288 where: short stacking energy: -803.582 Base-Backbone interact. energy: -0.332 local terms energy: -789.045965 where: bonds (distance) C4'-P energy: -150.995 bonds (distance) P-C4' energy: -151.323 flat angles C4'-P-C4' energy: -168.897 flat angles P-C4'-P energy: -112.798 tors. eta vs tors. theta energy: -205.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2647.907049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.907049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.907049 (E_RNA) where: Base-Base interactions energy: -1878.531 where: short stacking energy: -791.793 Base-Backbone interact. energy: -3.861 local terms energy: -765.514421 where: bonds (distance) C4'-P energy: -134.628 bonds (distance) P-C4' energy: -143.649 flat angles C4'-P-C4' energy: -171.891 flat angles P-C4'-P energy: -108.170 tors. eta vs tors. theta energy: -207.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2446.478675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.478675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.478675 (E_RNA) where: Base-Base interactions energy: -1712.657 where: short stacking energy: -705.971 Base-Backbone interact. energy: -0.687 local terms energy: -733.135290 where: bonds (distance) C4'-P energy: -142.314 bonds (distance) P-C4' energy: -151.166 flat angles C4'-P-C4' energy: -155.937 flat angles P-C4'-P energy: -92.670 tors. eta vs tors. theta energy: -191.049 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: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2267.288395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.288395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.288395 (E_RNA) where: Base-Base interactions energy: -1621.331 where: short stacking energy: -659.308 Base-Backbone interact. energy: 1.866 local terms energy: -647.822588 where: bonds (distance) C4'-P energy: -123.540 bonds (distance) P-C4' energy: -140.863 flat angles C4'-P-C4' energy: -155.211 flat angles P-C4'-P energy: -87.155 tors. eta vs tors. theta energy: -141.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1936.065990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.065990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.065990 (E_RNA) where: Base-Base interactions energy: -1310.272 where: short stacking energy: -572.114 Base-Backbone interact. energy: 1.539 local terms energy: -627.333400 where: bonds (distance) C4'-P energy: -149.604 bonds (distance) P-C4' energy: -139.891 flat angles C4'-P-C4' energy: -135.681 flat angles P-C4'-P energy: -77.977 tors. eta vs tors. theta energy: -124.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1945.422846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.422846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.422846 (E_RNA) where: Base-Base interactions energy: -1374.443 where: short stacking energy: -582.051 Base-Backbone interact. energy: -0.657 local terms energy: -570.322663 where: bonds (distance) C4'-P energy: -125.760 bonds (distance) P-C4' energy: -115.195 flat angles C4'-P-C4' energy: -120.132 flat angles P-C4'-P energy: -93.426 tors. eta vs tors. theta energy: -115.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1507.962922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.962922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.962922 (E_RNA) where: Base-Base interactions energy: -989.751 where: short stacking energy: -464.645 Base-Backbone interact. energy: 0.835 local terms energy: -519.046408 where: bonds (distance) C4'-P energy: -113.592 bonds (distance) P-C4' energy: -113.199 flat angles C4'-P-C4' energy: -132.938 flat angles P-C4'-P energy: -69.018 tors. eta vs tors. theta energy: -90.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3097.396650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.396650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.396650 (E_RNA) where: Base-Base interactions energy: -2230.031 where: short stacking energy: -884.477 Base-Backbone interact. energy: -6.179 local terms energy: -861.186757 where: bonds (distance) C4'-P energy: -147.120 bonds (distance) P-C4' energy: -163.653 flat angles C4'-P-C4' energy: -173.029 flat angles P-C4'-P energy: -133.349 tors. eta vs tors. theta energy: -244.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2973.293288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.293288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.293288 (E_RNA) where: Base-Base interactions energy: -2124.187 where: short stacking energy: -903.936 Base-Backbone interact. energy: -4.444 local terms energy: -844.662516 where: bonds (distance) C4'-P energy: -162.893 bonds (distance) P-C4' energy: -139.911 flat angles C4'-P-C4' energy: -181.628 flat angles P-C4'-P energy: -111.218 tors. eta vs tors. theta energy: -249.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2874.923626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.923626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.923626 (E_RNA) where: Base-Base interactions energy: -2064.067 where: short stacking energy: -865.840 Base-Backbone interact. energy: -3.609 local terms energy: -807.248083 where: bonds (distance) C4'-P energy: -145.204 bonds (distance) P-C4' energy: -148.123 flat angles C4'-P-C4' energy: -187.443 flat angles P-C4'-P energy: -110.579 tors. eta vs tors. theta energy: -215.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2723.126650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.126650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.126650 (E_RNA) where: Base-Base interactions energy: -1954.059 where: short stacking energy: -825.652 Base-Backbone interact. energy: -2.637 local terms energy: -766.431026 where: bonds (distance) C4'-P energy: -136.970 bonds (distance) P-C4' energy: -134.992 flat angles C4'-P-C4' energy: -174.057 flat angles P-C4'-P energy: -105.660 tors. eta vs tors. theta energy: -214.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2650.753758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.753758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.753758 (E_RNA) where: Base-Base interactions energy: -1896.509 where: short stacking energy: -820.558 Base-Backbone interact. energy: -5.730 local terms energy: -748.514908 where: bonds (distance) C4'-P energy: -134.795 bonds (distance) P-C4' energy: -127.927 flat angles C4'-P-C4' energy: -160.278 flat angles P-C4'-P energy: -114.140 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: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2426.206268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.206268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.206268 (E_RNA) where: Base-Base interactions energy: -1727.174 where: short stacking energy: -698.186 Base-Backbone interact. energy: -3.020 local terms energy: -696.012837 where: bonds (distance) C4'-P energy: -147.921 bonds (distance) P-C4' energy: -141.064 flat angles C4'-P-C4' energy: -143.510 flat angles P-C4'-P energy: -84.215 tors. eta vs tors. theta energy: -179.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2302.773570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.773570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.773570 (E_RNA) where: Base-Base interactions energy: -1648.667 where: short stacking energy: -673.012 Base-Backbone interact. energy: 0.373 local terms energy: -654.479243 where: bonds (distance) C4'-P energy: -123.353 bonds (distance) P-C4' energy: -103.278 flat angles C4'-P-C4' energy: -157.515 flat angles P-C4'-P energy: -113.079 tors. eta vs tors. theta energy: -157.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1919.979511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.979511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.979511 (E_RNA) where: Base-Base interactions energy: -1331.618 where: short stacking energy: -551.946 Base-Backbone interact. energy: -3.281 local terms energy: -585.080649 where: bonds (distance) C4'-P energy: -127.119 bonds (distance) P-C4' energy: -118.763 flat angles C4'-P-C4' energy: -135.143 flat angles P-C4'-P energy: -85.820 tors. eta vs tors. theta energy: -118.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1968.156020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.156020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.156020 (E_RNA) where: Base-Base interactions energy: -1370.938 where: short stacking energy: -595.139 Base-Backbone interact. energy: -3.440 local terms energy: -593.777959 where: bonds (distance) C4'-P energy: -130.500 bonds (distance) P-C4' energy: -105.394 flat angles C4'-P-C4' energy: -126.777 flat angles P-C4'-P energy: -77.476 tors. eta vs tors. theta energy: -153.632 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: 6 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1582.975339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.975339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.975339 (E_RNA) where: Base-Base interactions energy: -1041.958 where: short stacking energy: -464.337 Base-Backbone interact. energy: -1.920 local terms energy: -539.097250 where: bonds (distance) C4'-P energy: -122.047 bonds (distance) P-C4' energy: -126.321 flat angles C4'-P-C4' energy: -135.014 flat angles P-C4'-P energy: -80.148 tors. eta vs tors. theta energy: -75.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3080.916699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.916699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.916699 (E_RNA) where: Base-Base interactions energy: -2206.757 where: short stacking energy: -902.119 Base-Backbone interact. energy: -7.486 local terms energy: -866.672938 where: bonds (distance) C4'-P energy: -146.033 bonds (distance) P-C4' energy: -163.702 flat angles C4'-P-C4' energy: -184.486 flat angles P-C4'-P energy: -128.023 tors. eta vs tors. theta energy: -244.430 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: 1 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -3016.047182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.047182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.047182 (E_RNA) where: Base-Base interactions energy: -2163.854 where: short stacking energy: -898.703 Base-Backbone interact. energy: -4.383 local terms energy: -847.810097 where: bonds (distance) C4'-P energy: -156.556 bonds (distance) P-C4' energy: -153.531 flat angles C4'-P-C4' energy: -180.095 flat angles P-C4'-P energy: -107.420 tors. eta vs tors. theta energy: -250.208 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: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2858.332007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.332007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.332007 (E_RNA) where: Base-Base interactions energy: -2035.302 where: short stacking energy: -800.534 Base-Backbone interact. energy: -3.863 local terms energy: -819.166514 where: bonds (distance) C4'-P energy: -142.919 bonds (distance) P-C4' energy: -158.710 flat angles C4'-P-C4' energy: -166.588 flat angles P-C4'-P energy: -127.673 tors. eta vs tors. theta energy: -223.276 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: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2744.520810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.520810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.520810 (E_RNA) where: Base-Base interactions energy: -1965.316 where: short stacking energy: -814.637 Base-Backbone interact. energy: -1.296 local terms energy: -777.908512 where: bonds (distance) C4'-P energy: -144.202 bonds (distance) P-C4' energy: -138.497 flat angles C4'-P-C4' energy: -167.740 flat angles P-C4'-P energy: -115.377 tors. eta vs tors. theta energy: -212.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2653.699407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.699407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.699407 (E_RNA) where: Base-Base interactions energy: -1886.188 where: short stacking energy: -782.654 Base-Backbone interact. energy: -0.270 local terms energy: -767.241785 where: bonds (distance) C4'-P energy: -135.279 bonds (distance) P-C4' energy: -148.703 flat angles C4'-P-C4' energy: -164.463 flat angles P-C4'-P energy: -107.419 tors. eta vs tors. theta energy: -211.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2452.358809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.358809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.358809 (E_RNA) where: Base-Base interactions energy: -1735.753 where: short stacking energy: -711.334 Base-Backbone interact. energy: 3.538 local terms energy: -720.144197 where: bonds (distance) C4'-P energy: -132.902 bonds (distance) P-C4' energy: -157.302 flat angles C4'-P-C4' energy: -145.324 flat angles P-C4'-P energy: -101.630 tors. eta vs tors. theta energy: -182.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2299.007347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.007347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.007347 (E_RNA) where: Base-Base interactions energy: -1616.658 where: short stacking energy: -671.020 Base-Backbone interact. energy: -3.518 local terms energy: -678.831492 where: bonds (distance) C4'-P energy: -122.832 bonds (distance) P-C4' energy: -131.887 flat angles C4'-P-C4' energy: -150.660 flat angles P-C4'-P energy: -98.937 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: 393 Temperature: 1.250000 Total energy: -2075.981598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.981598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.981598 (E_RNA) where: Base-Base interactions energy: -1431.356 where: short stacking energy: -594.594 Base-Backbone interact. energy: -2.956 local terms energy: -641.669423 where: bonds (distance) C4'-P energy: -136.974 bonds (distance) P-C4' energy: -133.609 flat angles C4'-P-C4' energy: -133.815 flat angles P-C4'-P energy: -105.202 tors. eta vs tors. theta energy: -132.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1840.099450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.099450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.099450 (E_RNA) where: Base-Base interactions energy: -1251.208 where: short stacking energy: -530.156 Base-Backbone interact. energy: -2.096 local terms energy: -586.794836 where: bonds (distance) C4'-P energy: -143.035 bonds (distance) P-C4' energy: -111.437 flat angles C4'-P-C4' energy: -145.397 flat angles P-C4'-P energy: -79.645 tors. eta vs tors. theta energy: -107.281 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: 6 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1573.932366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.932366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.932366 (E_RNA) where: Base-Base interactions energy: -1015.942 where: short stacking energy: -483.603 Base-Backbone interact. energy: -0.774 local terms energy: -557.216744 where: bonds (distance) C4'-P energy: -110.700 bonds (distance) P-C4' energy: -154.335 flat angles C4'-P-C4' energy: -114.548 flat angles P-C4'-P energy: -85.093 tors. eta vs tors. theta energy: -92.541 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: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3097.234014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.234014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.234014 (E_RNA) where: Base-Base interactions energy: -2223.393 where: short stacking energy: -907.140 Base-Backbone interact. energy: -4.062 local terms energy: -869.778878 where: bonds (distance) C4'-P energy: -152.816 bonds (distance) P-C4' energy: -163.192 flat angles C4'-P-C4' energy: -193.939 flat angles P-C4'-P energy: -125.647 tors. eta vs tors. theta energy: -234.185 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: 1 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -3028.426327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.426327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.426327 (E_RNA) where: Base-Base interactions energy: -2149.569 where: short stacking energy: -894.187 Base-Backbone interact. energy: -0.736 local terms energy: -878.121211 where: bonds (distance) C4'-P energy: -155.451 bonds (distance) P-C4' energy: -163.309 flat angles C4'-P-C4' energy: -181.468 flat angles P-C4'-P energy: -123.465 tors. eta vs tors. theta energy: -254.428 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: 394 Temperature: 1.000000 Total energy: -2885.618704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.618704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.618704 (E_RNA) where: Base-Base interactions energy: -2066.711 where: short stacking energy: -845.437 Base-Backbone interact. energy: -2.047 local terms energy: -816.860171 where: bonds (distance) C4'-P energy: -132.553 bonds (distance) P-C4' energy: -164.117 flat angles C4'-P-C4' energy: -175.999 flat angles P-C4'-P energy: -115.106 tors. eta vs tors. theta energy: -229.084 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: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2748.719435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.719435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.719435 (E_RNA) where: Base-Base interactions energy: -1969.663 where: short stacking energy: -820.800 Base-Backbone interact. energy: 0.426 local terms energy: -779.483051 where: bonds (distance) C4'-P energy: -134.127 bonds (distance) P-C4' energy: -147.868 flat angles C4'-P-C4' energy: -175.217 flat angles P-C4'-P energy: -115.205 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: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2615.103300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.103300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.103300 (E_RNA) where: Base-Base interactions energy: -1841.121 where: short stacking energy: -756.206 Base-Backbone interact. energy: -3.136 local terms energy: -770.846098 where: bonds (distance) C4'-P energy: -145.723 bonds (distance) P-C4' energy: -141.130 flat angles C4'-P-C4' energy: -179.050 flat angles P-C4'-P energy: -105.538 tors. eta vs tors. theta energy: -199.404 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: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2394.645161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.645161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.645161 (E_RNA) where: Base-Base interactions energy: -1711.488 where: short stacking energy: -687.788 Base-Backbone interact. energy: -1.079 local terms energy: -682.078564 where: bonds (distance) C4'-P energy: -122.590 bonds (distance) P-C4' energy: -135.714 flat angles C4'-P-C4' energy: -160.597 flat angles P-C4'-P energy: -93.691 tors. eta vs tors. theta energy: -169.486 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: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2264.535469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.535469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.535469 (E_RNA) where: Base-Base interactions energy: -1602.146 where: short stacking energy: -675.571 Base-Backbone interact. energy: 1.565 local terms energy: -663.954961 where: bonds (distance) C4'-P energy: -133.488 bonds (distance) P-C4' energy: -134.838 flat angles C4'-P-C4' energy: -149.256 flat angles P-C4'-P energy: -93.167 tors. eta vs tors. theta energy: -153.206 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: 394 Temperature: 1.250000 Total energy: -2014.592612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.592612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.592612 (E_RNA) where: Base-Base interactions energy: -1358.852 where: short stacking energy: -612.959 Base-Backbone interact. energy: -2.529 local terms energy: -653.211589 where: bonds (distance) C4'-P energy: -126.091 bonds (distance) P-C4' energy: -148.712 flat angles C4'-P-C4' energy: -148.139 flat angles P-C4'-P energy: -95.946 tors. eta vs tors. theta energy: -134.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1763.075613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.075613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.075613 (E_RNA) where: Base-Base interactions energy: -1189.693 where: short stacking energy: -494.058 Base-Backbone interact. energy: -1.767 local terms energy: -571.615674 where: bonds (distance) C4'-P energy: -128.482 bonds (distance) P-C4' energy: -114.248 flat angles C4'-P-C4' energy: -130.633 flat angles P-C4'-P energy: -83.299 tors. eta vs tors. theta energy: -114.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1587.414229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.414229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.414229 (E_RNA) where: Base-Base interactions energy: -1060.505 where: short stacking energy: -472.755 Base-Backbone interact. energy: -1.016 local terms energy: -525.892574 where: bonds (distance) C4'-P energy: -120.736 bonds (distance) P-C4' energy: -100.754 flat angles C4'-P-C4' energy: -135.807 flat angles P-C4'-P energy: -78.754 tors. eta vs tors. theta energy: -89.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3086.207817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.207817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.207817 (E_RNA) where: Base-Base interactions energy: -2207.315 where: short stacking energy: -907.336 Base-Backbone interact. energy: -2.402 local terms energy: -876.490496 where: bonds (distance) C4'-P energy: -161.447 bonds (distance) P-C4' energy: -149.537 flat angles C4'-P-C4' energy: -190.830 flat angles P-C4'-P energy: -124.269 tors. eta vs tors. theta energy: -250.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -3010.872487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.872487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.872487 (E_RNA) where: Base-Base interactions energy: -2143.936 where: short stacking energy: -903.084 Base-Backbone interact. energy: -5.342 local terms energy: -861.595112 where: bonds (distance) C4'-P energy: -153.580 bonds (distance) P-C4' energy: -158.520 flat angles C4'-P-C4' energy: -168.337 flat angles P-C4'-P energy: -123.232 tors. eta vs tors. theta energy: -257.926 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: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2846.154636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.154636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.154636 (E_RNA) where: Base-Base interactions energy: -2043.554 where: short stacking energy: -861.909 Base-Backbone interact. energy: -2.692 local terms energy: -799.908567 where: bonds (distance) C4'-P energy: -140.454 bonds (distance) P-C4' energy: -145.486 flat angles C4'-P-C4' energy: -161.054 flat angles P-C4'-P energy: -122.710 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: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2678.313744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.313744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.313744 (E_RNA) where: Base-Base interactions energy: -1896.710 where: short stacking energy: -812.775 Base-Backbone interact. energy: -4.347 local terms energy: -777.256404 where: bonds (distance) C4'-P energy: -136.640 bonds (distance) P-C4' energy: -154.809 flat angles C4'-P-C4' energy: -174.475 flat angles P-C4'-P energy: -100.671 tors. eta vs tors. theta energy: -210.662 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: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2654.014528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.014528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.014528 (E_RNA) where: Base-Base interactions energy: -1883.473 where: short stacking energy: -787.621 Base-Backbone interact. energy: -0.379 local terms energy: -770.162529 where: bonds (distance) C4'-P energy: -156.499 bonds (distance) P-C4' energy: -135.558 flat angles C4'-P-C4' energy: -173.267 flat angles P-C4'-P energy: -107.535 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: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2403.680917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.680917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.680917 (E_RNA) where: Base-Base interactions energy: -1667.665 where: short stacking energy: -681.201 Base-Backbone interact. energy: -1.202 local terms energy: -734.814674 where: bonds (distance) C4'-P energy: -151.307 bonds (distance) P-C4' energy: -143.314 flat angles C4'-P-C4' energy: -166.454 flat angles P-C4'-P energy: -111.809 tors. eta vs tors. theta energy: -161.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2304.083831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.083831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.083831 (E_RNA) where: Base-Base interactions energy: -1601.665 where: short stacking energy: -683.891 Base-Backbone interact. energy: -0.365 local terms energy: -702.054182 where: bonds (distance) C4'-P energy: -133.271 bonds (distance) P-C4' energy: -144.114 flat angles C4'-P-C4' energy: -162.036 flat angles P-C4'-P energy: -91.289 tors. eta vs tors. theta energy: -171.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -2041.067660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.067660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.067660 (E_RNA) where: Base-Base interactions energy: -1413.034 where: short stacking energy: -614.850 Base-Backbone interact. energy: -2.021 local terms energy: -626.012500 where: bonds (distance) C4'-P energy: -118.862 bonds (distance) P-C4' energy: -128.781 flat angles C4'-P-C4' energy: -146.963 flat angles P-C4'-P energy: -95.680 tors. eta vs tors. theta energy: -135.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1750.260789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.260789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.260789 (E_RNA) where: Base-Base interactions energy: -1163.186 where: short stacking energy: -519.732 Base-Backbone interact. energy: -4.843 local terms energy: -582.231179 where: bonds (distance) C4'-P energy: -136.963 bonds (distance) P-C4' energy: -127.833 flat angles C4'-P-C4' energy: -135.341 flat angles P-C4'-P energy: -78.656 tors. eta vs tors. theta energy: -103.439 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: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1545.147684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.147684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.147684 (E_RNA) where: Base-Base interactions energy: -1020.558 where: short stacking energy: -446.198 Base-Backbone interact. energy: -1.423 local terms energy: -523.166227 where: bonds (distance) C4'-P energy: -106.477 bonds (distance) P-C4' energy: -124.981 flat angles C4'-P-C4' energy: -121.847 flat angles P-C4'-P energy: -70.896 tors. eta vs tors. theta energy: -98.965 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: 1, replica: 7 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3106.928883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.928883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.928883 (E_RNA) where: Base-Base interactions energy: -2246.117 where: short stacking energy: -908.871 Base-Backbone interact. energy: -1.661 local terms energy: -859.150281 where: bonds (distance) C4'-P energy: -159.504 bonds (distance) P-C4' energy: -155.850 flat angles C4'-P-C4' energy: -183.892 flat angles P-C4'-P energy: -116.736 tors. eta vs tors. theta energy: -243.168 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: 396 Temperature: 0.950000 Total energy: -2967.174660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.174660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.174660 (E_RNA) where: Base-Base interactions energy: -2117.412 where: short stacking energy: -899.607 Base-Backbone interact. energy: -0.669 local terms energy: -849.093285 where: bonds (distance) C4'-P energy: -149.293 bonds (distance) P-C4' energy: -136.129 flat angles C4'-P-C4' energy: -184.115 flat angles P-C4'-P energy: -127.108 tors. eta vs tors. theta energy: -252.449 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: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2887.221419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.221419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.221419 (E_RNA) where: Base-Base interactions energy: -2064.160 where: short stacking energy: -825.394 Base-Backbone interact. energy: 2.016 local terms energy: -825.077594 where: bonds (distance) C4'-P energy: -154.066 bonds (distance) P-C4' energy: -151.741 flat angles C4'-P-C4' energy: -173.276 flat angles P-C4'-P energy: -120.450 tors. eta vs tors. theta energy: -225.544 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: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2691.276668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.276668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.276668 (E_RNA) where: Base-Base interactions energy: -1912.255 where: short stacking energy: -777.637 Base-Backbone interact. energy: -5.053 local terms energy: -773.968882 where: bonds (distance) C4'-P energy: -131.585 bonds (distance) P-C4' energy: -157.865 flat angles C4'-P-C4' energy: -183.612 flat angles P-C4'-P energy: -110.461 tors. eta vs tors. theta energy: -190.446 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: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2638.111712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.111712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.111712 (E_RNA) where: Base-Base interactions energy: -1880.610 where: short stacking energy: -755.414 Base-Backbone interact. energy: 0.984 local terms energy: -758.485642 where: bonds (distance) C4'-P energy: -133.054 bonds (distance) P-C4' energy: -156.648 flat angles C4'-P-C4' energy: -156.089 flat angles P-C4'-P energy: -105.626 tors. eta vs tors. theta energy: -207.070 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: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2377.175244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.175244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.175244 (E_RNA) where: Base-Base interactions energy: -1709.359 where: short stacking energy: -705.672 Base-Backbone interact. energy: 1.802 local terms energy: -669.617886 where: bonds (distance) C4'-P energy: -132.781 bonds (distance) P-C4' energy: -134.490 flat angles C4'-P-C4' energy: -152.271 flat angles P-C4'-P energy: -83.559 tors. eta vs tors. theta energy: -166.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2332.690139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.690139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.690139 (E_RNA) where: Base-Base interactions energy: -1653.577 where: short stacking energy: -706.256 Base-Backbone interact. energy: -3.394 local terms energy: -675.718846 where: bonds (distance) C4'-P energy: -106.907 bonds (distance) P-C4' energy: -140.445 flat angles C4'-P-C4' energy: -160.917 flat angles P-C4'-P energy: -90.714 tors. eta vs tors. theta energy: -176.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -2078.141492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.141492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.141492 (E_RNA) where: Base-Base interactions energy: -1408.432 where: short stacking energy: -598.078 Base-Backbone interact. energy: 1.401 local terms energy: -671.110637 where: bonds (distance) C4'-P energy: -135.949 bonds (distance) P-C4' energy: -147.262 flat angles C4'-P-C4' energy: -155.424 flat angles P-C4'-P energy: -86.842 tors. eta vs tors. theta energy: -145.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1672.996822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.996822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.996822 (E_RNA) where: Base-Base interactions energy: -1094.443 where: short stacking energy: -473.029 Base-Backbone interact. energy: -2.419 local terms energy: -576.135274 where: bonds (distance) C4'-P energy: -140.862 bonds (distance) P-C4' energy: -126.519 flat angles C4'-P-C4' energy: -140.434 flat angles P-C4'-P energy: -58.566 tors. eta vs tors. theta energy: -109.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1599.338995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.338995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.338995 (E_RNA) where: Base-Base interactions energy: -1051.701 where: short stacking energy: -477.120 Base-Backbone interact. energy: -1.699 local terms energy: -545.938599 where: bonds (distance) C4'-P energy: -116.767 bonds (distance) P-C4' energy: -123.345 flat angles C4'-P-C4' energy: -129.985 flat angles P-C4'-P energy: -93.557 tors. eta vs tors. theta energy: -82.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3088.038140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.038140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.038140 (E_RNA) where: Base-Base interactions energy: -2208.218 where: short stacking energy: -926.674 Base-Backbone interact. energy: -1.013 local terms energy: -878.806788 where: bonds (distance) C4'-P energy: -159.646 bonds (distance) P-C4' energy: -155.800 flat angles C4'-P-C4' energy: -198.530 flat angles P-C4'-P energy: -118.301 tors. eta vs tors. theta energy: -246.530 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: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2994.453297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.453297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.453297 (E_RNA) where: Base-Base interactions energy: -2144.490 where: short stacking energy: -912.905 Base-Backbone interact. energy: -3.771 local terms energy: -846.192135 where: bonds (distance) C4'-P energy: -139.741 bonds (distance) P-C4' energy: -161.454 flat angles C4'-P-C4' energy: -177.529 flat angles P-C4'-P energy: -107.518 tors. eta vs tors. theta energy: -259.950 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: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2915.213908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.213908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.213908 (E_RNA) where: Base-Base interactions energy: -2093.275 where: short stacking energy: -849.961 Base-Backbone interact. energy: -4.964 local terms energy: -816.975600 where: bonds (distance) C4'-P energy: -144.056 bonds (distance) P-C4' energy: -139.482 flat angles C4'-P-C4' energy: -178.565 flat angles P-C4'-P energy: -115.638 tors. eta vs tors. theta energy: -239.234 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: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2707.832368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.832368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.832368 (E_RNA) where: Base-Base interactions energy: -1967.459 where: short stacking energy: -811.480 Base-Backbone interact. energy: -6.636 local terms energy: -733.736793 where: bonds (distance) C4'-P energy: -138.694 bonds (distance) P-C4' energy: -127.937 flat angles C4'-P-C4' energy: -166.756 flat angles P-C4'-P energy: -101.752 tors. eta vs tors. theta energy: -198.597 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: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2640.302973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.302973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.302973 (E_RNA) where: Base-Base interactions energy: -1886.898 where: short stacking energy: -781.985 Base-Backbone interact. energy: -3.092 local terms energy: -750.312136 where: bonds (distance) C4'-P energy: -123.784 bonds (distance) P-C4' energy: -142.031 flat angles C4'-P-C4' energy: -178.158 flat angles P-C4'-P energy: -111.415 tors. eta vs tors. theta energy: -194.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2433.496592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.496592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.496592 (E_RNA) where: Base-Base interactions energy: -1722.493 where: short stacking energy: -706.784 Base-Backbone interact. energy: 3.000 local terms energy: -714.003433 where: bonds (distance) C4'-P energy: -132.796 bonds (distance) P-C4' energy: -130.161 flat angles C4'-P-C4' energy: -167.163 flat angles P-C4'-P energy: -98.637 tors. eta vs tors. theta energy: -185.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2370.574704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.574704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.574704 (E_RNA) where: Base-Base interactions energy: -1676.263 where: short stacking energy: -728.544 Base-Backbone interact. energy: 3.160 local terms energy: -697.471891 where: bonds (distance) C4'-P energy: -117.002 bonds (distance) P-C4' energy: -118.864 flat angles C4'-P-C4' energy: -173.830 flat angles P-C4'-P energy: -102.039 tors. eta vs tors. theta energy: -185.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -2045.936249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.936249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.936249 (E_RNA) where: Base-Base interactions energy: -1409.194 where: short stacking energy: -596.388 Base-Backbone interact. energy: 0.854 local terms energy: -637.595764 where: bonds (distance) C4'-P energy: -156.501 bonds (distance) P-C4' energy: -119.312 flat angles C4'-P-C4' energy: -131.463 flat angles P-C4'-P energy: -88.383 tors. eta vs tors. theta energy: -141.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1581.171788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.171788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.171788 (E_RNA) where: Base-Base interactions energy: -1012.038 where: short stacking energy: -396.923 Base-Backbone interact. energy: -0.233 local terms energy: -568.901170 where: bonds (distance) C4'-P energy: -152.215 bonds (distance) P-C4' energy: -115.858 flat angles C4'-P-C4' energy: -146.834 flat angles P-C4'-P energy: -84.072 tors. eta vs tors. theta energy: -69.923 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: 10, replica: 6 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1537.021346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.021346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.021346 (E_RNA) where: Base-Base interactions energy: -996.913 where: short stacking energy: -451.697 Base-Backbone interact. energy: -1.495 local terms energy: -538.613221 where: bonds (distance) C4'-P energy: -123.125 bonds (distance) P-C4' energy: -130.074 flat angles C4'-P-C4' energy: -120.523 flat angles P-C4'-P energy: -88.368 tors. eta vs tors. theta energy: -76.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3076.729882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.729882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.729882 (E_RNA) where: Base-Base interactions energy: -2215.263 where: short stacking energy: -920.545 Base-Backbone interact. energy: -1.387 local terms energy: -860.079060 where: bonds (distance) C4'-P energy: -173.148 bonds (distance) P-C4' energy: -158.348 flat angles C4'-P-C4' energy: -177.569 flat angles P-C4'-P energy: -116.557 tors. eta vs tors. theta energy: -234.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2994.576818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.576818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.576818 (E_RNA) where: Base-Base interactions energy: -2138.898 where: short stacking energy: -894.081 Base-Backbone interact. energy: -3.430 local terms energy: -852.248883 where: bonds (distance) C4'-P energy: -145.213 bonds (distance) P-C4' energy: -154.286 flat angles C4'-P-C4' energy: -178.157 flat angles P-C4'-P energy: -120.867 tors. eta vs tors. theta energy: -253.726 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: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2949.291098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.291098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.291098 (E_RNA) where: Base-Base interactions energy: -2109.378 where: short stacking energy: -897.741 Base-Backbone interact. energy: -3.519 local terms energy: -836.393496 where: bonds (distance) C4'-P energy: -149.275 bonds (distance) P-C4' energy: -143.704 flat angles C4'-P-C4' energy: -177.614 flat angles P-C4'-P energy: -122.261 tors. eta vs tors. theta energy: -243.540 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: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2715.732580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.732580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.732580 (E_RNA) where: Base-Base interactions energy: -1935.707 where: short stacking energy: -788.866 Base-Backbone interact. energy: -6.287 local terms energy: -773.738598 where: bonds (distance) C4'-P energy: -154.138 bonds (distance) P-C4' energy: -127.698 flat angles C4'-P-C4' energy: -173.790 flat angles P-C4'-P energy: -111.122 tors. eta vs tors. theta energy: -206.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2673.133892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.133892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.133892 (E_RNA) where: Base-Base interactions energy: -1889.384 where: short stacking energy: -789.173 Base-Backbone interact. energy: -4.322 local terms energy: -779.428668 where: bonds (distance) C4'-P energy: -130.599 bonds (distance) P-C4' energy: -147.563 flat angles C4'-P-C4' energy: -172.266 flat angles P-C4'-P energy: -123.066 tors. eta vs tors. theta energy: -205.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2486.350689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.350689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.350689 (E_RNA) where: Base-Base interactions energy: -1772.527 where: short stacking energy: -735.213 Base-Backbone interact. energy: 1.279 local terms energy: -715.102552 where: bonds (distance) C4'-P energy: -120.944 bonds (distance) P-C4' energy: -138.591 flat angles C4'-P-C4' energy: -169.304 flat angles P-C4'-P energy: -102.767 tors. eta vs tors. theta energy: -183.497 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: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2364.751921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.751921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.751921 (E_RNA) where: Base-Base interactions energy: -1633.712 where: short stacking energy: -682.185 Base-Backbone interact. energy: -3.337 local terms energy: -727.703008 where: bonds (distance) C4'-P energy: -142.881 bonds (distance) P-C4' energy: -140.513 flat angles C4'-P-C4' energy: -148.219 flat angles P-C4'-P energy: -106.689 tors. eta vs tors. theta energy: -189.400 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: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -2075.349786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.349786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.349786 (E_RNA) where: Base-Base interactions energy: -1444.285 where: short stacking energy: -616.797 Base-Backbone interact. energy: -2.281 local terms energy: -628.783660 where: bonds (distance) C4'-P energy: -134.141 bonds (distance) P-C4' energy: -111.488 flat angles C4'-P-C4' energy: -143.244 flat angles P-C4'-P energy: -102.880 tors. eta vs tors. theta energy: -137.032 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: 9, replica: 6 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1602.292803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.292803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.292803 (E_RNA) where: Base-Base interactions energy: -1076.954 where: short stacking energy: -479.917 Base-Backbone interact. energy: 2.174 local terms energy: -527.512091 where: bonds (distance) C4'-P energy: -130.950 bonds (distance) P-C4' energy: -112.976 flat angles C4'-P-C4' energy: -115.567 flat angles P-C4'-P energy: -97.166 tors. eta vs tors. theta energy: -70.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1501.469889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.469889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.469889 (E_RNA) where: Base-Base interactions energy: -979.198 where: short stacking energy: -430.728 Base-Backbone interact. energy: 1.596 local terms energy: -523.867531 where: bonds (distance) C4'-P energy: -111.727 bonds (distance) P-C4' energy: -124.580 flat angles C4'-P-C4' energy: -121.037 flat angles P-C4'-P energy: -85.293 tors. eta vs tors. theta energy: -81.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3071.389147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.389147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.389147 (E_RNA) where: Base-Base interactions energy: -2195.722 where: short stacking energy: -913.105 Base-Backbone interact. energy: 2.250 local terms energy: -877.917426 where: bonds (distance) C4'-P energy: -155.672 bonds (distance) P-C4' energy: -157.339 flat angles C4'-P-C4' energy: -188.066 flat angles P-C4'-P energy: -134.686 tors. eta vs tors. theta energy: -242.155 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: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -3001.539739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.539739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.539739 (E_RNA) where: Base-Base interactions energy: -2137.338 where: short stacking energy: -874.148 Base-Backbone interact. energy: -4.009 local terms energy: -860.193176 where: bonds (distance) C4'-P energy: -158.008 bonds (distance) P-C4' energy: -156.674 flat angles C4'-P-C4' energy: -195.991 flat angles P-C4'-P energy: -109.236 tors. eta vs tors. theta energy: -240.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2902.529043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.529043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.529043 (E_RNA) where: Base-Base interactions energy: -2064.468 where: short stacking energy: -873.559 Base-Backbone interact. energy: -3.688 local terms energy: -834.373666 where: bonds (distance) C4'-P energy: -150.865 bonds (distance) P-C4' energy: -163.003 flat angles C4'-P-C4' energy: -174.515 flat angles P-C4'-P energy: -96.433 tors. eta vs tors. theta energy: -249.557 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: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2731.110440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.110440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.110440 (E_RNA) where: Base-Base interactions energy: -1927.514 where: short stacking energy: -773.236 Base-Backbone interact. energy: -4.832 local terms energy: -798.764757 where: bonds (distance) C4'-P energy: -143.643 bonds (distance) P-C4' energy: -157.715 flat angles C4'-P-C4' energy: -162.195 flat angles P-C4'-P energy: -115.493 tors. eta vs tors. theta energy: -219.718 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: 10 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2630.775665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.775665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.775665 (E_RNA) where: Base-Base interactions energy: -1881.391 where: short stacking energy: -780.549 Base-Backbone interact. energy: -4.604 local terms energy: -744.780768 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -142.585 flat angles C4'-P-C4' energy: -152.197 flat angles P-C4'-P energy: -114.585 tors. eta vs tors. theta energy: -189.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2482.651525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.651525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.651525 (E_RNA) where: Base-Base interactions energy: -1743.752 where: short stacking energy: -754.483 Base-Backbone interact. energy: -5.072 local terms energy: -733.827026 where: bonds (distance) C4'-P energy: -126.340 bonds (distance) P-C4' energy: -145.954 flat angles C4'-P-C4' energy: -165.865 flat angles P-C4'-P energy: -95.687 tors. eta vs tors. theta energy: -199.980 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: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2340.274037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.274037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.274037 (E_RNA) where: Base-Base interactions energy: -1636.081 where: short stacking energy: -694.710 Base-Backbone interact. energy: -1.825 local terms energy: -702.368270 where: bonds (distance) C4'-P energy: -116.365 bonds (distance) P-C4' energy: -130.475 flat angles C4'-P-C4' energy: -156.609 flat angles P-C4'-P energy: -117.800 tors. eta vs tors. theta energy: -181.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -2087.114529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.114529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.114529 (E_RNA) where: Base-Base interactions energy: -1507.085 where: short stacking energy: -641.202 Base-Backbone interact. energy: -0.947 local terms energy: -579.082657 where: bonds (distance) C4'-P energy: -115.392 bonds (distance) P-C4' energy: -114.163 flat angles C4'-P-C4' energy: -134.996 flat angles P-C4'-P energy: -70.522 tors. eta vs tors. theta energy: -144.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1620.240447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.240447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.240447 (E_RNA) where: Base-Base interactions energy: -1081.901 where: short stacking energy: -494.236 Base-Backbone interact. energy: -1.407 local terms energy: -536.932680 where: bonds (distance) C4'-P energy: -108.250 bonds (distance) P-C4' energy: -120.306 flat angles C4'-P-C4' energy: -139.364 flat angles P-C4'-P energy: -87.864 tors. eta vs tors. theta energy: -81.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1415.939317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.939317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.939317 (E_RNA) where: Base-Base interactions energy: -941.362 where: short stacking energy: -398.905 Base-Backbone interact. energy: 12.989 local terms energy: -487.566655 where: bonds (distance) C4'-P energy: -119.617 bonds (distance) P-C4' energy: -149.828 flat angles C4'-P-C4' energy: -109.093 flat angles P-C4'-P energy: -59.902 tors. eta vs tors. theta energy: -49.126 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: 1, replica: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3058.876496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.876496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.876496 (E_RNA) where: Base-Base interactions energy: -2196.288 where: short stacking energy: -925.623 Base-Backbone interact. energy: -0.999 local terms energy: -861.589478 where: bonds (distance) C4'-P energy: -153.009 bonds (distance) P-C4' energy: -149.721 flat angles C4'-P-C4' energy: -186.116 flat angles P-C4'-P energy: -126.597 tors. eta vs tors. theta energy: -246.147 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: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2981.738593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.738593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.738593 (E_RNA) where: Base-Base interactions energy: -2123.232 where: short stacking energy: -871.872 Base-Backbone interact. energy: -0.704 local terms energy: -857.802191 where: bonds (distance) C4'-P energy: -147.982 bonds (distance) P-C4' energy: -156.928 flat angles C4'-P-C4' energy: -197.815 flat angles P-C4'-P energy: -125.660 tors. eta vs tors. theta energy: -229.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2946.056911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.056911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.056911 (E_RNA) where: Base-Base interactions energy: -2091.569 where: short stacking energy: -874.192 Base-Backbone interact. energy: -3.291 local terms energy: -851.197227 where: bonds (distance) C4'-P energy: -166.161 bonds (distance) P-C4' energy: -158.602 flat angles C4'-P-C4' energy: -175.268 flat angles P-C4'-P energy: -108.827 tors. eta vs tors. theta energy: -242.340 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: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2756.662872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.662872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.662872 (E_RNA) where: Base-Base interactions energy: -1967.024 where: short stacking energy: -796.540 Base-Backbone interact. energy: -8.503 local terms energy: -781.136384 where: bonds (distance) C4'-P energy: -141.944 bonds (distance) P-C4' energy: -142.311 flat angles C4'-P-C4' energy: -171.722 flat angles P-C4'-P energy: -124.251 tors. eta vs tors. theta energy: -200.909 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: 400 Temperature: 1.100000 Total energy: -2632.132640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.132640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.132640 (E_RNA) where: Base-Base interactions energy: -1896.412 where: short stacking energy: -787.716 Base-Backbone interact. energy: -3.090 local terms energy: -732.630311 where: bonds (distance) C4'-P energy: -133.595 bonds (distance) P-C4' energy: -136.185 flat angles C4'-P-C4' energy: -160.077 flat angles P-C4'-P energy: -100.063 tors. eta vs tors. theta energy: -202.710 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: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2444.164021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.164021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.164021 (E_RNA) where: Base-Base interactions energy: -1714.326 where: short stacking energy: -739.758 Base-Backbone interact. energy: -3.939 local terms energy: -725.899083 where: bonds (distance) C4'-P energy: -139.579 bonds (distance) P-C4' energy: -151.273 flat angles C4'-P-C4' energy: -148.327 flat angles P-C4'-P energy: -88.541 tors. eta vs tors. theta energy: -198.179 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: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2353.021287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.021287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.021287 (E_RNA) where: Base-Base interactions energy: -1650.926 where: short stacking energy: -708.140 Base-Backbone interact. energy: 3.873 local terms energy: -705.968317 where: bonds (distance) C4'-P energy: -123.286 bonds (distance) P-C4' energy: -142.952 flat angles C4'-P-C4' energy: -166.927 flat angles P-C4'-P energy: -91.615 tors. eta vs tors. theta energy: -181.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -2017.330367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.330367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.330367 (E_RNA) where: Base-Base interactions energy: -1388.077 where: short stacking energy: -621.475 Base-Backbone interact. energy: 4.574 local terms energy: -633.827686 where: bonds (distance) C4'-P energy: -119.249 bonds (distance) P-C4' energy: -132.243 flat angles C4'-P-C4' energy: -146.699 flat angles P-C4'-P energy: -86.659 tors. eta vs tors. theta energy: -148.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1688.080875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.080875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.080875 (E_RNA) where: Base-Base interactions energy: -1168.096 where: short stacking energy: -505.810 Base-Backbone interact. energy: 4.940 local terms energy: -524.924604 where: bonds (distance) C4'-P energy: -115.066 bonds (distance) P-C4' energy: -133.009 flat angles C4'-P-C4' energy: -123.483 flat angles P-C4'-P energy: -62.058 tors. eta vs tors. theta energy: -91.309 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: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1241.203106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.203106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.203106 (E_RNA) where: Base-Base interactions energy: -787.134 where: short stacking energy: -366.219 Base-Backbone interact. energy: 3.665 local terms energy: -457.734499 where: bonds (distance) C4'-P energy: -114.593 bonds (distance) P-C4' energy: -120.062 flat angles C4'-P-C4' energy: -96.258 flat angles P-C4'-P energy: -86.742 tors. eta vs tors. theta energy: -40.078 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: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3088.510186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.510186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.510186 (E_RNA) where: Base-Base interactions energy: -2227.061 where: short stacking energy: -927.418 Base-Backbone interact. energy: -2.927 local terms energy: -858.522176 where: bonds (distance) C4'-P energy: -147.118 bonds (distance) P-C4' energy: -154.162 flat angles C4'-P-C4' energy: -188.650 flat angles P-C4'-P energy: -120.088 tors. eta vs tors. theta energy: -248.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2977.801523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.801523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.801523 (E_RNA) where: Base-Base interactions energy: -2111.891 where: short stacking energy: -885.951 Base-Backbone interact. energy: -8.405 local terms energy: -857.505206 where: bonds (distance) C4'-P energy: -160.497 bonds (distance) P-C4' energy: -143.680 flat angles C4'-P-C4' energy: -189.304 flat angles P-C4'-P energy: -122.228 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: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2939.657854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.657854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.657854 (E_RNA) where: Base-Base interactions energy: -2103.962 where: short stacking energy: -872.244 Base-Backbone interact. energy: -3.439 local terms energy: -832.256372 where: bonds (distance) C4'-P energy: -147.743 bonds (distance) P-C4' energy: -145.108 flat angles C4'-P-C4' energy: -173.111 flat angles P-C4'-P energy: -122.785 tors. eta vs tors. theta energy: -243.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2722.998466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.998466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.998466 (E_RNA) where: Base-Base interactions energy: -1972.418 where: short stacking energy: -790.429 Base-Backbone interact. energy: -5.551 local terms energy: -745.028924 where: bonds (distance) C4'-P energy: -144.463 bonds (distance) P-C4' energy: -128.358 flat angles C4'-P-C4' energy: -164.891 flat angles P-C4'-P energy: -103.294 tors. eta vs tors. theta energy: -204.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2713.120179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.120179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.120179 (E_RNA) where: Base-Base interactions energy: -1913.017 where: short stacking energy: -804.464 Base-Backbone interact. energy: -7.289 local terms energy: -792.814175 where: bonds (distance) C4'-P energy: -161.852 bonds (distance) P-C4' energy: -140.386 flat angles C4'-P-C4' energy: -162.237 flat angles P-C4'-P energy: -106.340 tors. eta vs tors. theta energy: -221.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2462.224244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.224244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.224244 (E_RNA) where: Base-Base interactions energy: -1704.056 where: short stacking energy: -739.678 Base-Backbone interact. energy: -5.645 local terms energy: -752.523413 where: bonds (distance) C4'-P energy: -125.656 bonds (distance) P-C4' energy: -152.942 flat angles C4'-P-C4' energy: -173.797 flat angles P-C4'-P energy: -111.390 tors. eta vs tors. theta energy: -188.739 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: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2332.459999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.459999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.459999 (E_RNA) where: Base-Base interactions energy: -1646.357 where: short stacking energy: -684.691 Base-Backbone interact. energy: -2.939 local terms energy: -683.164900 where: bonds (distance) C4'-P energy: -118.899 bonds (distance) P-C4' energy: -132.051 flat angles C4'-P-C4' energy: -148.749 flat angles P-C4'-P energy: -111.972 tors. eta vs tors. theta energy: -171.494 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: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -2089.970068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.970068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.970068 (E_RNA) where: Base-Base interactions energy: -1449.200 where: short stacking energy: -590.268 Base-Backbone interact. energy: 1.267 local terms energy: -642.037143 where: bonds (distance) C4'-P energy: -129.263 bonds (distance) P-C4' energy: -135.631 flat angles C4'-P-C4' energy: -152.704 flat angles P-C4'-P energy: -85.601 tors. eta vs tors. theta energy: -138.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1717.062998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.062998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.062998 (E_RNA) where: Base-Base interactions energy: -1144.388 where: short stacking energy: -512.464 Base-Backbone interact. energy: -0.962 local terms energy: -571.712965 where: bonds (distance) C4'-P energy: -119.249 bonds (distance) P-C4' energy: -152.143 flat angles C4'-P-C4' energy: -125.573 flat angles P-C4'-P energy: -87.991 tors. eta vs tors. theta energy: -86.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1282.455716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.455716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.455716 (E_RNA) where: Base-Base interactions energy: -824.261 where: short stacking energy: -371.864 Base-Backbone interact. energy: -1.904 local terms energy: -456.290343 where: bonds (distance) C4'-P energy: -99.325 bonds (distance) P-C4' energy: -137.900 flat angles C4'-P-C4' energy: -117.088 flat angles P-C4'-P energy: -67.898 tors. eta vs tors. theta energy: -34.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3068.471682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.471682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.471682 (E_RNA) where: Base-Base interactions energy: -2182.806 where: short stacking energy: -924.442 Base-Backbone interact. energy: -4.968 local terms energy: -880.697053 where: bonds (distance) C4'-P energy: -156.081 bonds (distance) P-C4' energy: -175.298 flat angles C4'-P-C4' energy: -194.615 flat angles P-C4'-P energy: -109.043 tors. eta vs tors. theta energy: -245.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -3013.355054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.355054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.355054 (E_RNA) where: Base-Base interactions energy: -2129.078 where: short stacking energy: -869.736 Base-Backbone interact. energy: -2.597 local terms energy: -881.680583 where: bonds (distance) C4'-P energy: -158.020 bonds (distance) P-C4' energy: -158.031 flat angles C4'-P-C4' energy: -188.971 flat angles P-C4'-P energy: -116.924 tors. eta vs tors. theta energy: -259.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2929.272465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.272465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.272465 (E_RNA) where: Base-Base interactions energy: -2096.516 where: short stacking energy: -851.703 Base-Backbone interact. energy: -2.329 local terms energy: -830.427296 where: bonds (distance) C4'-P energy: -145.110 bonds (distance) P-C4' energy: -172.097 flat angles C4'-P-C4' energy: -160.761 flat angles P-C4'-P energy: -111.672 tors. eta vs tors. theta energy: -240.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2721.686715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.686715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.686715 (E_RNA) where: Base-Base interactions energy: -1942.469 where: short stacking energy: -778.418 Base-Backbone interact. energy: -4.211 local terms energy: -775.007025 where: bonds (distance) C4'-P energy: -135.091 bonds (distance) P-C4' energy: -142.683 flat angles C4'-P-C4' energy: -199.153 flat angles P-C4'-P energy: -92.322 tors. eta vs tors. theta energy: -205.758 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: 402 Temperature: 1.100000 Total energy: -2636.379173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.379173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.379173 (E_RNA) where: Base-Base interactions energy: -1887.584 where: short stacking energy: -802.592 Base-Backbone interact. energy: 1.451 local terms energy: -750.245829 where: bonds (distance) C4'-P energy: -120.091 bonds (distance) P-C4' energy: -133.623 flat angles C4'-P-C4' energy: -169.806 flat angles P-C4'-P energy: -112.063 tors. eta vs tors. theta energy: -214.663 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: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2453.217522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.217522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.217522 (E_RNA) where: Base-Base interactions energy: -1739.944 where: short stacking energy: -722.263 Base-Backbone interact. energy: -2.021 local terms energy: -711.252473 where: bonds (distance) C4'-P energy: -154.807 bonds (distance) P-C4' energy: -139.939 flat angles C4'-P-C4' energy: -149.165 flat angles P-C4'-P energy: -99.574 tors. eta vs tors. theta energy: -167.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2312.915118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.915118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.915118 (E_RNA) where: Base-Base interactions energy: -1636.171 where: short stacking energy: -656.861 Base-Backbone interact. energy: 0.051 local terms energy: -676.795559 where: bonds (distance) C4'-P energy: -135.156 bonds (distance) P-C4' energy: -147.673 flat angles C4'-P-C4' energy: -150.155 flat angles P-C4'-P energy: -89.327 tors. eta vs tors. theta energy: -154.485 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: 402 Temperature: 1.250000 Total energy: -2063.858059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.858059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.858059 (E_RNA) where: Base-Base interactions energy: -1459.642 where: short stacking energy: -599.344 Base-Backbone interact. energy: 1.823 local terms energy: -606.039707 where: bonds (distance) C4'-P energy: -140.832 bonds (distance) P-C4' energy: -114.914 flat angles C4'-P-C4' energy: -140.134 flat angles P-C4'-P energy: -84.224 tors. eta vs tors. theta energy: -125.936 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: 9, replica: 6 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1718.875713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.875713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.875713 (E_RNA) where: Base-Base interactions energy: -1136.936 where: short stacking energy: -491.729 Base-Backbone interact. energy: -0.334 local terms energy: -581.606240 where: bonds (distance) C4'-P energy: -129.509 bonds (distance) P-C4' energy: -123.338 flat angles C4'-P-C4' energy: -144.374 flat angles P-C4'-P energy: -76.585 tors. eta vs tors. theta energy: -107.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1316.905261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.905261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.905261 (E_RNA) where: Base-Base interactions energy: -852.899 where: short stacking energy: -408.646 Base-Backbone interact. energy: 5.907 local terms energy: -469.913460 where: bonds (distance) C4'-P energy: -115.957 bonds (distance) P-C4' energy: -114.346 flat angles C4'-P-C4' energy: -122.766 flat angles P-C4'-P energy: -78.660 tors. eta vs tors. theta energy: -38.185 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: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3107.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.476783 (E_RNA) where: Base-Base interactions energy: -2255.018 where: short stacking energy: -951.077 Base-Backbone interact. energy: -5.238 local terms energy: -847.221075 where: bonds (distance) C4'-P energy: -131.300 bonds (distance) P-C4' energy: -146.871 flat angles C4'-P-C4' energy: -190.968 flat angles P-C4'-P energy: -123.776 tors. eta vs tors. theta energy: -254.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -3034.085125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.085125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.085125 (E_RNA) where: Base-Base interactions energy: -2139.488 where: short stacking energy: -905.169 Base-Backbone interact. energy: -5.597 local terms energy: -889.000438 where: bonds (distance) C4'-P energy: -156.395 bonds (distance) P-C4' energy: -158.156 flat angles C4'-P-C4' energy: -187.758 flat angles P-C4'-P energy: -124.111 tors. eta vs tors. theta energy: -262.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2925.496322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.496322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.496322 (E_RNA) where: Base-Base interactions energy: -2110.305 where: short stacking energy: -872.875 Base-Backbone interact. energy: -5.422 local terms energy: -809.768532 where: bonds (distance) C4'-P energy: -138.962 bonds (distance) P-C4' energy: -149.575 flat angles C4'-P-C4' energy: -181.838 flat angles P-C4'-P energy: -107.500 tors. eta vs tors. theta energy: -231.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2714.446055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.446055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.446055 (E_RNA) where: Base-Base interactions energy: -1915.182 where: short stacking energy: -773.860 Base-Backbone interact. energy: -1.772 local terms energy: -797.492468 where: bonds (distance) C4'-P energy: -165.748 bonds (distance) P-C4' energy: -158.851 flat angles C4'-P-C4' energy: -172.172 flat angles P-C4'-P energy: -104.661 tors. eta vs tors. theta energy: -196.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2653.545680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.545680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.545680 (E_RNA) where: Base-Base interactions energy: -1922.909 where: short stacking energy: -833.452 Base-Backbone interact. energy: -1.646 local terms energy: -728.990618 where: bonds (distance) C4'-P energy: -132.711 bonds (distance) P-C4' energy: -126.451 flat angles C4'-P-C4' energy: -173.369 flat angles P-C4'-P energy: -96.182 tors. eta vs tors. theta energy: -200.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2439.783832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.783832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.783832 (E_RNA) where: Base-Base interactions energy: -1715.164 where: short stacking energy: -693.506 Base-Backbone interact. energy: -3.827 local terms energy: -720.792587 where: bonds (distance) C4'-P energy: -150.395 bonds (distance) P-C4' energy: -137.459 flat angles C4'-P-C4' energy: -161.005 flat angles P-C4'-P energy: -97.621 tors. eta vs tors. theta energy: -174.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2331.858478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.858478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.858478 (E_RNA) where: Base-Base interactions energy: -1657.419 where: short stacking energy: -669.736 Base-Backbone interact. energy: 0.551 local terms energy: -674.990517 where: bonds (distance) C4'-P energy: -130.409 bonds (distance) P-C4' energy: -138.958 flat angles C4'-P-C4' energy: -150.361 flat angles P-C4'-P energy: -97.149 tors. eta vs tors. theta energy: -158.113 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: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -2068.687402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.687402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.687402 (E_RNA) where: Base-Base interactions energy: -1443.955 where: short stacking energy: -620.275 Base-Backbone interact. energy: 0.210 local terms energy: -624.943262 where: bonds (distance) C4'-P energy: -132.625 bonds (distance) P-C4' energy: -110.965 flat angles C4'-P-C4' energy: -141.391 flat angles P-C4'-P energy: -101.026 tors. eta vs tors. theta energy: -138.936 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: 9, replica: 6 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1730.908511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.908511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.908511 (E_RNA) where: Base-Base interactions energy: -1175.906 where: short stacking energy: -513.860 Base-Backbone interact. energy: -0.822 local terms energy: -554.180107 where: bonds (distance) C4'-P energy: -129.243 bonds (distance) P-C4' energy: -122.634 flat angles C4'-P-C4' energy: -125.547 flat angles P-C4'-P energy: -81.713 tors. eta vs tors. theta energy: -95.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1270.051441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.051441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.051441 (E_RNA) where: Base-Base interactions energy: -786.037 where: short stacking energy: -411.115 Base-Backbone interact. energy: -1.022 local terms energy: -482.992343 where: bonds (distance) C4'-P energy: -118.337 bonds (distance) P-C4' energy: -128.949 flat angles C4'-P-C4' energy: -107.894 flat angles P-C4'-P energy: -72.780 tors. eta vs tors. theta energy: -55.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3074.884899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.884899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.884899 (E_RNA) where: Base-Base interactions energy: -2200.488 where: short stacking energy: -907.374 Base-Backbone interact. energy: -4.447 local terms energy: -869.949635 where: bonds (distance) C4'-P energy: -148.070 bonds (distance) P-C4' energy: -159.392 flat angles C4'-P-C4' energy: -186.298 flat angles P-C4'-P energy: -131.152 tors. eta vs tors. theta energy: -245.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -3012.140213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.140213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.140213 (E_RNA) where: Base-Base interactions energy: -2132.556 where: short stacking energy: -895.881 Base-Backbone interact. energy: -5.287 local terms energy: -874.297819 where: bonds (distance) C4'-P energy: -161.825 bonds (distance) P-C4' energy: -156.886 flat angles C4'-P-C4' energy: -179.293 flat angles P-C4'-P energy: -121.453 tors. eta vs tors. theta energy: -254.841 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: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2925.996869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.996869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.996869 (E_RNA) where: Base-Base interactions energy: -2105.589 where: short stacking energy: -843.570 Base-Backbone interact. energy: 3.844 local terms energy: -824.251365 where: bonds (distance) C4'-P energy: -141.012 bonds (distance) P-C4' energy: -158.380 flat angles C4'-P-C4' energy: -172.461 flat angles P-C4'-P energy: -119.346 tors. eta vs tors. theta energy: -233.051 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: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2742.935266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.935266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.935266 (E_RNA) where: Base-Base interactions energy: -1975.497 where: short stacking energy: -756.889 Base-Backbone interact. energy: -7.251 local terms energy: -760.188154 where: bonds (distance) C4'-P energy: -138.979 bonds (distance) P-C4' energy: -139.636 flat angles C4'-P-C4' energy: -171.683 flat angles P-C4'-P energy: -101.981 tors. eta vs tors. theta energy: -207.909 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: -2667.257504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.257504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.257504 (E_RNA) where: Base-Base interactions energy: -1898.272 where: short stacking energy: -785.073 Base-Backbone interact. energy: -0.992 local terms energy: -767.992906 where: bonds (distance) C4'-P energy: -141.525 bonds (distance) P-C4' energy: -142.901 flat angles C4'-P-C4' energy: -171.564 flat angles P-C4'-P energy: -102.152 tors. eta vs tors. theta energy: -209.852 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: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2429.381983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.381983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.381983 (E_RNA) where: Base-Base interactions energy: -1724.472 where: short stacking energy: -732.193 Base-Backbone interact. energy: -3.172 local terms energy: -701.738034 where: bonds (distance) C4'-P energy: -123.333 bonds (distance) P-C4' energy: -135.987 flat angles C4'-P-C4' energy: -162.964 flat angles P-C4'-P energy: -105.411 tors. eta vs tors. theta energy: -174.043 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: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2329.856813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.856813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.856813 (E_RNA) where: Base-Base interactions energy: -1624.811 where: short stacking energy: -674.094 Base-Backbone interact. energy: -2.028 local terms energy: -703.017338 where: bonds (distance) C4'-P energy: -139.994 bonds (distance) P-C4' energy: -148.471 flat angles C4'-P-C4' energy: -160.758 flat angles P-C4'-P energy: -85.367 tors. eta vs tors. theta energy: -168.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -2084.109778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.109778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.109778 (E_RNA) where: Base-Base interactions energy: -1436.691 where: short stacking energy: -608.478 Base-Backbone interact. energy: -1.323 local terms energy: -646.096204 where: bonds (distance) C4'-P energy: -131.187 bonds (distance) P-C4' energy: -139.829 flat angles C4'-P-C4' energy: -130.847 flat angles P-C4'-P energy: -99.554 tors. eta vs tors. theta energy: -144.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1725.548433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.548433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.548433 (E_RNA) where: Base-Base interactions energy: -1162.724 where: short stacking energy: -515.677 Base-Backbone interact. energy: 4.153 local terms energy: -566.977673 where: bonds (distance) C4'-P energy: -129.252 bonds (distance) P-C4' energy: -127.161 flat angles C4'-P-C4' energy: -123.801 flat angles P-C4'-P energy: -95.753 tors. eta vs tors. theta energy: -91.011 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: 10, replica: 8 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1353.109307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.109307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.109307 (E_RNA) where: Base-Base interactions energy: -829.524 where: short stacking energy: -407.536 Base-Backbone interact. energy: -6.241 local terms energy: -517.343936 where: bonds (distance) C4'-P energy: -129.484 bonds (distance) P-C4' energy: -119.429 flat angles C4'-P-C4' energy: -130.427 flat angles P-C4'-P energy: -91.218 tors. eta vs tors. theta energy: -46.786 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: 7 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3070.766402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.766402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.766402 (E_RNA) where: Base-Base interactions energy: -2199.081 where: short stacking energy: -930.104 Base-Backbone interact. energy: -3.584 local terms energy: -868.101128 where: bonds (distance) C4'-P energy: -160.319 bonds (distance) P-C4' energy: -141.934 flat angles C4'-P-C4' energy: -188.164 flat angles P-C4'-P energy: -121.146 tors. eta vs tors. theta energy: -256.538 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: 405 Temperature: 0.950000 Total energy: -3005.247077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.247077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.247077 (E_RNA) where: Base-Base interactions energy: -2138.602 where: short stacking energy: -902.818 Base-Backbone interact. energy: -2.765 local terms energy: -863.880682 where: bonds (distance) C4'-P energy: -159.603 bonds (distance) P-C4' energy: -159.970 flat angles C4'-P-C4' energy: -174.891 flat angles P-C4'-P energy: -113.197 tors. eta vs tors. theta energy: -256.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2936.028386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.028386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.028386 (E_RNA) where: Base-Base interactions energy: -2096.224 where: short stacking energy: -871.981 Base-Backbone interact. energy: -6.579 local terms energy: -833.224772 where: bonds (distance) C4'-P energy: -142.686 bonds (distance) P-C4' energy: -159.451 flat angles C4'-P-C4' energy: -182.270 flat angles P-C4'-P energy: -109.228 tors. eta vs tors. theta energy: -239.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2762.893486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.893486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.893486 (E_RNA) where: Base-Base interactions energy: -1976.676 where: short stacking energy: -831.671 Base-Backbone interact. energy: -4.161 local terms energy: -782.056345 where: bonds (distance) C4'-P energy: -128.231 bonds (distance) P-C4' energy: -158.750 flat angles C4'-P-C4' energy: -163.983 flat angles P-C4'-P energy: -107.912 tors. eta vs tors. theta energy: -223.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2686.152286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.152286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.152286 (E_RNA) where: Base-Base interactions energy: -1910.261 where: short stacking energy: -823.429 Base-Backbone interact. energy: -4.155 local terms energy: -771.736139 where: bonds (distance) C4'-P energy: -135.131 bonds (distance) P-C4' energy: -151.723 flat angles C4'-P-C4' energy: -171.564 flat angles P-C4'-P energy: -117.352 tors. eta vs tors. theta energy: -195.966 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: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2522.075517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.075517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.075517 (E_RNA) where: Base-Base interactions energy: -1806.296 where: short stacking energy: -758.021 Base-Backbone interact. energy: 0.969 local terms energy: -716.748432 where: bonds (distance) C4'-P energy: -138.129 bonds (distance) P-C4' energy: -134.828 flat angles C4'-P-C4' energy: -166.250 flat angles P-C4'-P energy: -87.070 tors. eta vs tors. theta energy: -190.471 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: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2449.909546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.909546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.909546 (E_RNA) where: Base-Base interactions energy: -1744.243 where: short stacking energy: -717.295 Base-Backbone interact. energy: -0.817 local terms energy: -704.848875 where: bonds (distance) C4'-P energy: -133.504 bonds (distance) P-C4' energy: -146.585 flat angles C4'-P-C4' energy: -153.636 flat angles P-C4'-P energy: -97.175 tors. eta vs tors. theta energy: -173.949 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: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -2009.097282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.097282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.097282 (E_RNA) where: Base-Base interactions energy: -1399.264 where: short stacking energy: -593.972 Base-Backbone interact. energy: -0.907 local terms energy: -608.926403 where: bonds (distance) C4'-P energy: -108.410 bonds (distance) P-C4' energy: -124.532 flat angles C4'-P-C4' energy: -152.299 flat angles P-C4'-P energy: -82.956 tors. eta vs tors. theta energy: -140.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1748.421965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.421965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.421965 (E_RNA) where: Base-Base interactions energy: -1197.697 where: short stacking energy: -527.291 Base-Backbone interact. energy: 0.682 local terms energy: -551.406992 where: bonds (distance) C4'-P energy: -110.061 bonds (distance) P-C4' energy: -135.540 flat angles C4'-P-C4' energy: -132.069 flat angles P-C4'-P energy: -78.031 tors. eta vs tors. theta energy: -95.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1417.307202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.307202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.307202 (E_RNA) where: Base-Base interactions energy: -879.525 where: short stacking energy: -420.090 Base-Backbone interact. energy: 3.944 local terms energy: -541.726750 where: bonds (distance) C4'-P energy: -114.461 bonds (distance) P-C4' energy: -126.154 flat angles C4'-P-C4' energy: -114.706 flat angles P-C4'-P energy: -93.772 tors. eta vs tors. theta energy: -92.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3093.730653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.730653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.730653 (E_RNA) where: Base-Base interactions energy: -2220.319 where: short stacking energy: -944.573 Base-Backbone interact. energy: 4.618 local terms energy: -878.029709 where: bonds (distance) C4'-P energy: -157.180 bonds (distance) P-C4' energy: -159.570 flat angles C4'-P-C4' energy: -180.546 flat angles P-C4'-P energy: -123.535 tors. eta vs tors. theta energy: -257.199 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: 1 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -3016.082878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.082878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.082878 (E_RNA) where: Base-Base interactions energy: -2134.424 where: short stacking energy: -895.803 Base-Backbone interact. energy: -4.137 local terms energy: -877.521251 where: bonds (distance) C4'-P energy: -150.733 bonds (distance) P-C4' energy: -162.964 flat angles C4'-P-C4' energy: -188.225 flat angles P-C4'-P energy: -120.659 tors. eta vs tors. theta energy: -254.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2917.046277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.046277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.046277 (E_RNA) where: Base-Base interactions energy: -2047.039 where: short stacking energy: -844.133 Base-Backbone interact. energy: -3.104 local terms energy: -866.903168 where: bonds (distance) C4'-P energy: -135.097 bonds (distance) P-C4' energy: -176.894 flat angles C4'-P-C4' energy: -188.887 flat angles P-C4'-P energy: -124.858 tors. eta vs tors. theta energy: -241.167 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: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2763.679361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.679361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.679361 (E_RNA) where: Base-Base interactions energy: -1967.165 where: short stacking energy: -819.170 Base-Backbone interact. energy: -2.474 local terms energy: -794.040477 where: bonds (distance) C4'-P energy: -147.953 bonds (distance) P-C4' energy: -149.684 flat angles C4'-P-C4' energy: -157.075 flat angles P-C4'-P energy: -117.694 tors. eta vs tors. theta energy: -221.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2664.004690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.004690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.004690 (E_RNA) where: Base-Base interactions energy: -1891.673 where: short stacking energy: -781.907 Base-Backbone interact. energy: -2.006 local terms energy: -770.325115 where: bonds (distance) C4'-P energy: -138.697 bonds (distance) P-C4' energy: -160.559 flat angles C4'-P-C4' energy: -172.905 flat angles P-C4'-P energy: -105.482 tors. eta vs tors. theta energy: -192.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2404.392980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.392980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.392980 (E_RNA) where: Base-Base interactions energy: -1722.117 where: short stacking energy: -734.628 Base-Backbone interact. energy: 2.071 local terms energy: -684.346857 where: bonds (distance) C4'-P energy: -125.558 bonds (distance) P-C4' energy: -127.460 flat angles C4'-P-C4' energy: -157.749 flat angles P-C4'-P energy: -102.532 tors. eta vs tors. theta energy: -171.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2413.336805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.336805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.336805 (E_RNA) where: Base-Base interactions energy: -1680.006 where: short stacking energy: -716.459 Base-Backbone interact. energy: -5.787 local terms energy: -727.543652 where: bonds (distance) C4'-P energy: -134.267 bonds (distance) P-C4' energy: -136.321 flat angles C4'-P-C4' energy: -155.260 flat angles P-C4'-P energy: -113.401 tors. eta vs tors. theta energy: -188.295 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: 406 Temperature: 1.250000 Total energy: -2009.072292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.072292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.072292 (E_RNA) where: Base-Base interactions energy: -1380.489 where: short stacking energy: -613.850 Base-Backbone interact. energy: 0.430 local terms energy: -629.013802 where: bonds (distance) C4'-P energy: -111.219 bonds (distance) P-C4' energy: -125.913 flat angles C4'-P-C4' energy: -137.582 flat angles P-C4'-P energy: -98.127 tors. eta vs tors. theta energy: -156.173 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: 6 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1750.110077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.110077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.110077 (E_RNA) where: Base-Base interactions energy: -1175.767 where: short stacking energy: -494.544 Base-Backbone interact. energy: -0.064 local terms energy: -574.278925 where: bonds (distance) C4'-P energy: -139.262 bonds (distance) P-C4' energy: -128.674 flat angles C4'-P-C4' energy: -143.097 flat angles P-C4'-P energy: -77.851 tors. eta vs tors. theta energy: -85.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1366.131567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.131567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.131567 (E_RNA) where: Base-Base interactions energy: -879.401 where: short stacking energy: -390.422 Base-Backbone interact. energy: 8.548 local terms energy: -495.278795 where: bonds (distance) C4'-P energy: -126.224 bonds (distance) P-C4' energy: -146.197 flat angles C4'-P-C4' energy: -115.881 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: -39.516 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: 1, replica: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3099.293905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.293905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.293905 (E_RNA) where: Base-Base interactions energy: -2234.509 where: short stacking energy: -934.829 Base-Backbone interact. energy: -1.813 local terms energy: -862.971919 where: bonds (distance) C4'-P energy: -158.313 bonds (distance) P-C4' energy: -155.950 flat angles C4'-P-C4' energy: -180.735 flat angles P-C4'-P energy: -120.199 tors. eta vs tors. theta energy: -247.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -3022.374119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.374119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.374119 (E_RNA) where: Base-Base interactions energy: -2130.722 where: short stacking energy: -888.686 Base-Backbone interact. energy: -3.465 local terms energy: -888.187608 where: bonds (distance) C4'-P energy: -156.088 bonds (distance) P-C4' energy: -155.022 flat angles C4'-P-C4' energy: -192.355 flat angles P-C4'-P energy: -126.022 tors. eta vs tors. theta energy: -258.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2878.730938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.730938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.730938 (E_RNA) where: Base-Base interactions energy: -2068.275 where: short stacking energy: -853.663 Base-Backbone interact. energy: -2.219 local terms energy: -808.237180 where: bonds (distance) C4'-P energy: -150.157 bonds (distance) P-C4' energy: -140.309 flat angles C4'-P-C4' energy: -172.554 flat angles P-C4'-P energy: -116.425 tors. eta vs tors. theta energy: -228.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2814.319340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.319340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.319340 (E_RNA) where: Base-Base interactions energy: -2022.482 where: short stacking energy: -843.904 Base-Backbone interact. energy: -4.420 local terms energy: -787.416497 where: bonds (distance) C4'-P energy: -140.116 bonds (distance) P-C4' energy: -145.284 flat angles C4'-P-C4' energy: -167.099 flat angles P-C4'-P energy: -107.299 tors. eta vs tors. theta energy: -227.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2665.708650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.708650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.708650 (E_RNA) where: Base-Base interactions energy: -1899.041 where: short stacking energy: -810.548 Base-Backbone interact. energy: 3.992 local terms energy: -770.660623 where: bonds (distance) C4'-P energy: -135.102 bonds (distance) P-C4' energy: -128.601 flat angles C4'-P-C4' energy: -184.547 flat angles P-C4'-P energy: -100.038 tors. eta vs tors. theta energy: -222.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2412.606504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.606504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.606504 (E_RNA) where: Base-Base interactions energy: -1704.092 where: short stacking energy: -728.598 Base-Backbone interact. energy: -1.519 local terms energy: -706.995624 where: bonds (distance) C4'-P energy: -123.429 bonds (distance) P-C4' energy: -131.866 flat angles C4'-P-C4' energy: -168.627 flat angles P-C4'-P energy: -104.499 tors. eta vs tors. theta energy: -178.575 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: 407 Temperature: 1.200000 Total energy: -2314.646778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.646778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.646778 (E_RNA) where: Base-Base interactions energy: -1629.544 where: short stacking energy: -675.742 Base-Backbone interact. energy: 2.782 local terms energy: -687.884747 where: bonds (distance) C4'-P energy: -123.588 bonds (distance) P-C4' energy: -129.387 flat angles C4'-P-C4' energy: -164.186 flat angles P-C4'-P energy: -91.733 tors. eta vs tors. theta energy: -178.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1994.441831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.441831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.441831 (E_RNA) where: Base-Base interactions energy: -1364.628 where: short stacking energy: -626.012 Base-Backbone interact. energy: -2.774 local terms energy: -627.039265 where: bonds (distance) C4'-P energy: -128.380 bonds (distance) P-C4' energy: -124.968 flat angles C4'-P-C4' energy: -124.651 flat angles P-C4'-P energy: -93.082 tors. eta vs tors. theta energy: -155.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1728.631010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.631010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.631010 (E_RNA) where: Base-Base interactions energy: -1175.949 where: short stacking energy: -517.709 Base-Backbone interact. energy: -0.086 local terms energy: -552.596088 where: bonds (distance) C4'-P energy: -133.034 bonds (distance) P-C4' energy: -111.173 flat angles C4'-P-C4' energy: -112.993 flat angles P-C4'-P energy: -87.655 tors. eta vs tors. theta energy: -107.741 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: 8 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1325.645980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.645980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.645980 (E_RNA) where: Base-Base interactions energy: -822.709 where: short stacking energy: -362.670 Base-Backbone interact. energy: -0.079 local terms energy: -502.857782 where: bonds (distance) C4'-P energy: -124.820 bonds (distance) P-C4' energy: -119.749 flat angles C4'-P-C4' energy: -113.588 flat angles P-C4'-P energy: -92.342 tors. eta vs tors. theta energy: -52.359 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: 1, replica: 7 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3104.771297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.771297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.771297 (E_RNA) where: Base-Base interactions energy: -2210.665 where: short stacking energy: -928.440 Base-Backbone interact. energy: -1.602 local terms energy: -892.504885 where: bonds (distance) C4'-P energy: -162.414 bonds (distance) P-C4' energy: -167.781 flat angles C4'-P-C4' energy: -184.346 flat angles P-C4'-P energy: -130.096 tors. eta vs tors. theta energy: -247.869 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: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -3003.622455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.622455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.622455 (E_RNA) where: Base-Base interactions energy: -2141.722 where: short stacking energy: -915.116 Base-Backbone interact. energy: -5.160 local terms energy: -856.740368 where: bonds (distance) C4'-P energy: -143.231 bonds (distance) P-C4' energy: -148.322 flat angles C4'-P-C4' energy: -176.653 flat angles P-C4'-P energy: -127.141 tors. eta vs tors. theta energy: -261.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2868.898891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.898891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.898891 (E_RNA) where: Base-Base interactions energy: -2026.164 where: short stacking energy: -835.448 Base-Backbone interact. energy: -4.211 local terms energy: -838.523828 where: bonds (distance) C4'-P energy: -150.360 bonds (distance) P-C4' energy: -165.481 flat angles C4'-P-C4' energy: -179.496 flat angles P-C4'-P energy: -117.609 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: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2841.505160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.505160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.505160 (E_RNA) where: Base-Base interactions energy: -2031.168 where: short stacking energy: -818.633 Base-Backbone interact. energy: -5.209 local terms energy: -805.127764 where: bonds (distance) C4'-P energy: -136.247 bonds (distance) P-C4' energy: -156.100 flat angles C4'-P-C4' energy: -171.783 flat angles P-C4'-P energy: -117.984 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: 5, replica: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2672.089539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.089539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.089539 (E_RNA) where: Base-Base interactions energy: -1924.797 where: short stacking energy: -795.683 Base-Backbone interact. energy: -0.448 local terms energy: -746.844778 where: bonds (distance) C4'-P energy: -125.503 bonds (distance) P-C4' energy: -145.490 flat angles C4'-P-C4' energy: -179.305 flat angles P-C4'-P energy: -100.869 tors. eta vs tors. theta energy: -195.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2494.694227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.694227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.694227 (E_RNA) where: Base-Base interactions energy: -1781.888 where: short stacking energy: -735.215 Base-Backbone interact. energy: -2.604 local terms energy: -710.202207 where: bonds (distance) C4'-P energy: -117.653 bonds (distance) P-C4' energy: -157.776 flat angles C4'-P-C4' energy: -151.266 flat angles P-C4'-P energy: -95.836 tors. eta vs tors. theta energy: -187.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2313.395312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.395312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.395312 (E_RNA) where: Base-Base interactions energy: -1651.596 where: short stacking energy: -682.896 Base-Backbone interact. energy: -1.588 local terms energy: -660.211644 where: bonds (distance) C4'-P energy: -131.494 bonds (distance) P-C4' energy: -143.363 flat angles C4'-P-C4' energy: -140.320 flat angles P-C4'-P energy: -91.491 tors. eta vs tors. theta energy: -153.543 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: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1963.744810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.744810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.744810 (E_RNA) where: Base-Base interactions energy: -1317.583 where: short stacking energy: -582.490 Base-Backbone interact. energy: -1.991 local terms energy: -644.170451 where: bonds (distance) C4'-P energy: -126.870 bonds (distance) P-C4' energy: -117.096 flat angles C4'-P-C4' energy: -152.805 flat angles P-C4'-P energy: -99.909 tors. eta vs tors. theta energy: -147.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1837.865032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.865032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.865032 (E_RNA) where: Base-Base interactions energy: -1269.638 where: short stacking energy: -564.148 Base-Backbone interact. energy: -3.604 local terms energy: -564.622747 where: bonds (distance) C4'-P energy: -134.246 bonds (distance) P-C4' energy: -134.836 flat angles C4'-P-C4' energy: -112.012 flat angles P-C4'-P energy: -67.068 tors. eta vs tors. theta energy: -116.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1301.334885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.334885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.334885 (E_RNA) where: Base-Base interactions energy: -815.690 where: short stacking energy: -380.753 Base-Backbone interact. energy: -0.343 local terms energy: -485.302296 where: bonds (distance) C4'-P energy: -129.192 bonds (distance) P-C4' energy: -133.335 flat angles C4'-P-C4' energy: -113.296 flat angles P-C4'-P energy: -64.200 tors. eta vs tors. theta energy: -45.279 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: 7 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3095.178853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.178853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.178853 (E_RNA) where: Base-Base interactions energy: -2204.787 where: short stacking energy: -933.386 Base-Backbone interact. energy: -0.728 local terms energy: -889.663653 where: bonds (distance) C4'-P energy: -153.718 bonds (distance) P-C4' energy: -156.604 flat angles C4'-P-C4' energy: -188.165 flat angles P-C4'-P energy: -140.600 tors. eta vs tors. theta energy: -250.576 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: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -3014.851999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.851999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.851999 (E_RNA) where: Base-Base interactions energy: -2121.743 where: short stacking energy: -882.930 Base-Backbone interact. energy: -3.831 local terms energy: -889.278108 where: bonds (distance) C4'-P energy: -164.016 bonds (distance) P-C4' energy: -155.924 flat angles C4'-P-C4' energy: -188.314 flat angles P-C4'-P energy: -122.260 tors. eta vs tors. theta energy: -258.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2893.160680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.160680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.160680 (E_RNA) where: Base-Base interactions energy: -2064.711 where: short stacking energy: -842.561 Base-Backbone interact. energy: -2.230 local terms energy: -826.219355 where: bonds (distance) C4'-P energy: -140.544 bonds (distance) P-C4' energy: -167.682 flat angles C4'-P-C4' energy: -168.270 flat angles P-C4'-P energy: -115.105 tors. eta vs tors. theta energy: -234.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2833.255922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.255922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.255922 (E_RNA) where: Base-Base interactions energy: -2085.361 where: short stacking energy: -830.412 Base-Backbone interact. energy: -3.476 local terms energy: -744.419372 where: bonds (distance) C4'-P energy: -121.002 bonds (distance) P-C4' energy: -132.308 flat angles C4'-P-C4' energy: -168.612 flat angles P-C4'-P energy: -92.184 tors. eta vs tors. theta energy: -230.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2656.200451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.200451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.200451 (E_RNA) where: Base-Base interactions energy: -1897.266 where: short stacking energy: -828.704 Base-Backbone interact. energy: 0.800 local terms energy: -759.733888 where: bonds (distance) C4'-P energy: -134.197 bonds (distance) P-C4' energy: -146.310 flat angles C4'-P-C4' energy: -163.646 flat angles P-C4'-P energy: -106.004 tors. eta vs tors. theta energy: -209.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2465.844354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.844354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.844354 (E_RNA) where: Base-Base interactions energy: -1731.386 where: short stacking energy: -727.337 Base-Backbone interact. energy: 1.851 local terms energy: -736.309410 where: bonds (distance) C4'-P energy: -146.530 bonds (distance) P-C4' energy: -137.126 flat angles C4'-P-C4' energy: -168.088 flat angles P-C4'-P energy: -109.085 tors. eta vs tors. theta energy: -175.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2350.970845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.970845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.970845 (E_RNA) where: Base-Base interactions energy: -1658.671 where: short stacking energy: -714.076 Base-Backbone interact. energy: -4.585 local terms energy: -687.714555 where: bonds (distance) C4'-P energy: -129.187 bonds (distance) P-C4' energy: -133.553 flat angles C4'-P-C4' energy: -136.632 flat angles P-C4'-P energy: -108.633 tors. eta vs tors. theta energy: -179.710 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: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -2031.484984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.484984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.484984 (E_RNA) where: Base-Base interactions energy: -1414.778 where: short stacking energy: -612.918 Base-Backbone interact. energy: -1.436 local terms energy: -615.271051 where: bonds (distance) C4'-P energy: -96.612 bonds (distance) P-C4' energy: -131.649 flat angles C4'-P-C4' energy: -154.201 flat angles P-C4'-P energy: -91.412 tors. eta vs tors. theta energy: -141.396 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: 6 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1777.690529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.690529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.690529 (E_RNA) where: Base-Base interactions energy: -1206.210 where: short stacking energy: -532.847 Base-Backbone interact. energy: -4.709 local terms energy: -566.771417 where: bonds (distance) C4'-P energy: -104.693 bonds (distance) P-C4' energy: -148.012 flat angles C4'-P-C4' energy: -140.619 flat angles P-C4'-P energy: -65.937 tors. eta vs tors. theta energy: -107.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1425.291148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.291148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.291148 (E_RNA) where: Base-Base interactions energy: -897.685 where: short stacking energy: -390.417 Base-Backbone interact. energy: 10.998 local terms energy: -538.604373 where: bonds (distance) C4'-P energy: -151.297 bonds (distance) P-C4' energy: -149.510 flat angles C4'-P-C4' energy: -119.289 flat angles P-C4'-P energy: -72.856 tors. eta vs tors. theta energy: -45.653 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: 1, replica: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3093.255923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.255923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.255923 (E_RNA) where: Base-Base interactions energy: -2218.668 where: short stacking energy: -928.352 Base-Backbone interact. energy: 4.917 local terms energy: -879.505012 where: bonds (distance) C4'-P energy: -157.588 bonds (distance) P-C4' energy: -166.854 flat angles C4'-P-C4' energy: -188.304 flat angles P-C4'-P energy: -121.640 tors. eta vs tors. theta energy: -245.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -3025.718988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.718988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.718988 (E_RNA) where: Base-Base interactions energy: -2136.004 where: short stacking energy: -909.482 Base-Backbone interact. energy: -3.492 local terms energy: -886.223705 where: bonds (distance) C4'-P energy: -148.092 bonds (distance) P-C4' energy: -165.624 flat angles C4'-P-C4' energy: -183.472 flat angles P-C4'-P energy: -128.757 tors. eta vs tors. theta energy: -260.279 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: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2849.611075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.611075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.611075 (E_RNA) where: Base-Base interactions energy: -2037.327 where: short stacking energy: -834.202 Base-Backbone interact. energy: -1.422 local terms energy: -810.861702 where: bonds (distance) C4'-P energy: -148.216 bonds (distance) P-C4' energy: -151.617 flat angles C4'-P-C4' energy: -176.126 flat angles P-C4'-P energy: -110.348 tors. eta vs tors. theta energy: -224.555 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: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2849.281778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.281778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.281778 (E_RNA) where: Base-Base interactions energy: -2045.200 where: short stacking energy: -836.049 Base-Backbone interact. energy: -4.079 local terms energy: -800.002856 where: bonds (distance) C4'-P energy: -138.730 bonds (distance) P-C4' energy: -165.170 flat angles C4'-P-C4' energy: -160.564 flat angles P-C4'-P energy: -105.178 tors. eta vs tors. theta energy: -230.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2594.273468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.273468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.273468 (E_RNA) where: Base-Base interactions energy: -1843.287 where: short stacking energy: -798.321 Base-Backbone interact. energy: -3.599 local terms energy: -747.387413 where: bonds (distance) C4'-P energy: -137.125 bonds (distance) P-C4' energy: -141.455 flat angles C4'-P-C4' energy: -164.749 flat angles P-C4'-P energy: -111.377 tors. eta vs tors. theta energy: -192.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2478.070373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.070373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.070373 (E_RNA) where: Base-Base interactions energy: -1780.136 where: short stacking energy: -741.576 Base-Backbone interact. energy: -1.350 local terms energy: -696.584003 where: bonds (distance) C4'-P energy: -112.360 bonds (distance) P-C4' energy: -136.274 flat angles C4'-P-C4' energy: -148.733 flat angles P-C4'-P energy: -112.296 tors. eta vs tors. theta energy: -186.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2378.455481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.455481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.455481 (E_RNA) where: Base-Base interactions energy: -1676.352 where: short stacking energy: -716.077 Base-Backbone interact. energy: 0.661 local terms energy: -702.764498 where: bonds (distance) C4'-P energy: -126.653 bonds (distance) P-C4' energy: -130.841 flat angles C4'-P-C4' energy: -151.191 flat angles P-C4'-P energy: -98.744 tors. eta vs tors. theta energy: -195.334 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: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -2059.526411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.526411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.526411 (E_RNA) where: Base-Base interactions energy: -1407.311 where: short stacking energy: -577.257 Base-Backbone interact. energy: -4.550 local terms energy: -647.665686 where: bonds (distance) C4'-P energy: -133.091 bonds (distance) P-C4' energy: -132.677 flat angles C4'-P-C4' energy: -139.779 flat angles P-C4'-P energy: -108.516 tors. eta vs tors. theta energy: -133.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1743.266693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.266693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.266693 (E_RNA) where: Base-Base interactions energy: -1178.307 where: short stacking energy: -515.335 Base-Backbone interact. energy: -0.438 local terms energy: -564.521246 where: bonds (distance) C4'-P energy: -125.031 bonds (distance) P-C4' energy: -142.674 flat angles C4'-P-C4' energy: -127.708 flat angles P-C4'-P energy: -77.459 tors. eta vs tors. theta energy: -91.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1444.130939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.130939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.130939 (E_RNA) where: Base-Base interactions energy: -923.335 where: short stacking energy: -434.308 Base-Backbone interact. energy: -1.342 local terms energy: -519.454297 where: bonds (distance) C4'-P energy: -115.121 bonds (distance) P-C4' energy: -123.515 flat angles C4'-P-C4' energy: -124.549 flat angles P-C4'-P energy: -84.892 tors. eta vs tors. theta energy: -71.378 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: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3096.459483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.459483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.459483 (E_RNA) where: Base-Base interactions energy: -2211.700 where: short stacking energy: -916.381 Base-Backbone interact. energy: -2.791 local terms energy: -881.968528 where: bonds (distance) C4'-P energy: -162.599 bonds (distance) P-C4' energy: -154.293 flat angles C4'-P-C4' energy: -190.683 flat angles P-C4'-P energy: -121.092 tors. eta vs tors. theta energy: -253.301 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: 1 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -3001.375667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.375667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.375667 (E_RNA) where: Base-Base interactions energy: -2123.029 where: short stacking energy: -872.095 Base-Backbone interact. energy: -2.327 local terms energy: -876.020347 where: bonds (distance) C4'-P energy: -154.040 bonds (distance) P-C4' energy: -168.495 flat angles C4'-P-C4' energy: -179.477 flat angles P-C4'-P energy: -122.363 tors. eta vs tors. theta energy: -251.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2878.976747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.976747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.976747 (E_RNA) where: Base-Base interactions energy: -2050.293 where: short stacking energy: -832.018 Base-Backbone interact. energy: -4.457 local terms energy: -824.226874 where: bonds (distance) C4'-P energy: -133.243 bonds (distance) P-C4' energy: -164.582 flat angles C4'-P-C4' energy: -174.642 flat angles P-C4'-P energy: -127.682 tors. eta vs tors. theta energy: -224.077 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: 4, replica: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2799.842574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.842574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.842574 (E_RNA) where: Base-Base interactions energy: -2000.679 where: short stacking energy: -827.360 Base-Backbone interact. energy: -4.801 local terms energy: -794.363100 where: bonds (distance) C4'-P energy: -146.845 bonds (distance) P-C4' energy: -154.553 flat angles C4'-P-C4' energy: -172.517 flat angles P-C4'-P energy: -102.788 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: 5, replica: 10 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2570.269299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.269299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.269299 (E_RNA) where: Base-Base interactions energy: -1850.963 where: short stacking energy: -756.785 Base-Backbone interact. energy: -2.161 local terms energy: -717.145299 where: bonds (distance) C4'-P energy: -134.689 bonds (distance) P-C4' energy: -142.906 flat angles C4'-P-C4' energy: -157.942 flat angles P-C4'-P energy: -98.563 tors. eta vs tors. theta energy: -183.045 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: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2521.485208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.485208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.485208 (E_RNA) where: Base-Base interactions energy: -1807.024 where: short stacking energy: -744.043 Base-Backbone interact. energy: 3.289 local terms energy: -717.750164 where: bonds (distance) C4'-P energy: -132.061 bonds (distance) P-C4' energy: -133.027 flat angles C4'-P-C4' energy: -172.664 flat angles P-C4'-P energy: -99.738 tors. eta vs tors. theta energy: -180.260 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: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2348.191921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.191921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.191921 (E_RNA) where: Base-Base interactions energy: -1658.457 where: short stacking energy: -704.596 Base-Backbone interact. energy: 2.043 local terms energy: -691.778688 where: bonds (distance) C4'-P energy: -131.271 bonds (distance) P-C4' energy: -148.819 flat angles C4'-P-C4' energy: -145.916 flat angles P-C4'-P energy: -84.246 tors. eta vs tors. theta energy: -181.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -2057.055147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.055147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.055147 (E_RNA) where: Base-Base interactions energy: -1422.016 where: short stacking energy: -617.394 Base-Backbone interact. energy: -1.388 local terms energy: -633.650727 where: bonds (distance) C4'-P energy: -131.441 bonds (distance) P-C4' energy: -123.295 flat angles C4'-P-C4' energy: -142.646 flat angles P-C4'-P energy: -90.028 tors. eta vs tors. theta energy: -146.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1773.762340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.762340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.762340 (E_RNA) where: Base-Base interactions energy: -1207.237 where: short stacking energy: -531.483 Base-Backbone interact. energy: 0.200 local terms energy: -566.724607 where: bonds (distance) C4'-P energy: -126.950 bonds (distance) P-C4' energy: -137.239 flat angles C4'-P-C4' energy: -133.518 flat angles P-C4'-P energy: -76.438 tors. eta vs tors. theta energy: -92.579 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: 411 Temperature: 1.350000 Total energy: -1411.262867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.262867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.262867 (E_RNA) where: Base-Base interactions energy: -891.471 where: short stacking energy: -429.017 Base-Backbone interact. energy: -0.923 local terms energy: -518.869023 where: bonds (distance) C4'-P energy: -114.367 bonds (distance) P-C4' energy: -135.386 flat angles C4'-P-C4' energy: -129.499 flat angles P-C4'-P energy: -63.303 tors. eta vs tors. theta energy: -76.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3071.426457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.426457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.426457 (E_RNA) where: Base-Base interactions energy: -2189.372 where: short stacking energy: -928.220 Base-Backbone interact. energy: -4.437 local terms energy: -877.617865 where: bonds (distance) C4'-P energy: -149.831 bonds (distance) P-C4' energy: -155.970 flat angles C4'-P-C4' energy: -188.455 flat angles P-C4'-P energy: -128.064 tors. eta vs tors. theta energy: -255.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -3005.735438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.735438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.735438 (E_RNA) where: Base-Base interactions energy: -2131.399 where: short stacking energy: -905.389 Base-Backbone interact. energy: -0.992 local terms energy: -873.344806 where: bonds (distance) C4'-P energy: -146.172 bonds (distance) P-C4' energy: -165.853 flat angles C4'-P-C4' energy: -172.050 flat angles P-C4'-P energy: -113.628 tors. eta vs tors. theta energy: -275.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2904.564811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.564811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.564811 (E_RNA) where: Base-Base interactions energy: -2070.598 where: short stacking energy: -845.415 Base-Backbone interact. energy: -4.229 local terms energy: -829.737556 where: bonds (distance) C4'-P energy: -140.879 bonds (distance) P-C4' energy: -153.893 flat angles C4'-P-C4' energy: -191.132 flat angles P-C4'-P energy: -114.750 tors. eta vs tors. theta energy: -229.083 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: 5 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2810.823771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.823771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.823771 (E_RNA) where: Base-Base interactions energy: -2012.289 where: short stacking energy: -835.370 Base-Backbone interact. energy: -0.715 local terms energy: -797.820168 where: bonds (distance) C4'-P energy: -139.936 bonds (distance) P-C4' energy: -156.631 flat angles C4'-P-C4' energy: -179.617 flat angles P-C4'-P energy: -114.891 tors. eta vs tors. theta energy: -206.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2606.122475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.122475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.122475 (E_RNA) where: Base-Base interactions energy: -1815.928 where: short stacking energy: -742.795 Base-Backbone interact. energy: -2.017 local terms energy: -788.177023 where: bonds (distance) C4'-P energy: -151.919 bonds (distance) P-C4' energy: -154.366 flat angles C4'-P-C4' energy: -178.424 flat angles P-C4'-P energy: -109.440 tors. eta vs tors. theta energy: -194.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2468.215360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.215360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.215360 (E_RNA) where: Base-Base interactions energy: -1745.771 where: short stacking energy: -732.538 Base-Backbone interact. energy: -3.529 local terms energy: -718.915015 where: bonds (distance) C4'-P energy: -134.905 bonds (distance) P-C4' energy: -128.520 flat angles C4'-P-C4' energy: -151.234 flat angles P-C4'-P energy: -113.140 tors. eta vs tors. theta energy: -191.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2440.302096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.302096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.302096 (E_RNA) where: Base-Base interactions energy: -1735.841 where: short stacking energy: -738.867 Base-Backbone interact. energy: -3.555 local terms energy: -700.906363 where: bonds (distance) C4'-P energy: -120.792 bonds (distance) P-C4' energy: -136.141 flat angles C4'-P-C4' energy: -160.933 flat angles P-C4'-P energy: -84.140 tors. eta vs tors. theta energy: -198.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -2103.169471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.169471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.169471 (E_RNA) where: Base-Base interactions energy: -1463.140 where: short stacking energy: -653.388 Base-Backbone interact. energy: 1.250 local terms energy: -641.279406 where: bonds (distance) C4'-P energy: -116.797 bonds (distance) P-C4' energy: -136.619 flat angles C4'-P-C4' energy: -134.320 flat angles P-C4'-P energy: -86.937 tors. eta vs tors. theta energy: -166.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1795.129936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.129936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.129936 (E_RNA) where: Base-Base interactions energy: -1192.632 where: short stacking energy: -567.453 Base-Backbone interact. energy: 1.453 local terms energy: -603.951223 where: bonds (distance) C4'-P energy: -102.865 bonds (distance) P-C4' energy: -126.928 flat angles C4'-P-C4' energy: -150.209 flat angles P-C4'-P energy: -98.260 tors. eta vs tors. theta energy: -125.690 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: 412 Temperature: 1.350000 Total energy: -1402.697621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.697621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.697621 (E_RNA) where: Base-Base interactions energy: -883.400 where: short stacking energy: -407.044 Base-Backbone interact. energy: -1.519 local terms energy: -517.778664 where: bonds (distance) C4'-P energy: -102.126 bonds (distance) P-C4' energy: -130.834 flat angles C4'-P-C4' energy: -125.312 flat angles P-C4'-P energy: -88.465 tors. eta vs tors. theta energy: -71.041 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: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3069.786203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.786203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.786203 (E_RNA) where: Base-Base interactions energy: -2210.423 where: short stacking energy: -932.316 Base-Backbone interact. energy: -1.053 local terms energy: -858.310689 where: bonds (distance) C4'-P energy: -138.261 bonds (distance) P-C4' energy: -156.682 flat angles C4'-P-C4' energy: -181.539 flat angles P-C4'-P energy: -129.982 tors. eta vs tors. theta energy: -251.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -3034.862839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.862839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.862839 (E_RNA) where: Base-Base interactions energy: -2131.226 where: short stacking energy: -913.351 Base-Backbone interact. energy: -2.279 local terms energy: -901.357481 where: bonds (distance) C4'-P energy: -159.112 bonds (distance) P-C4' energy: -156.701 flat angles C4'-P-C4' energy: -185.590 flat angles P-C4'-P energy: -129.310 tors. eta vs tors. theta energy: -270.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2915.413568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.413568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.413568 (E_RNA) where: Base-Base interactions energy: -2091.657 where: short stacking energy: -843.943 Base-Backbone interact. energy: -2.120 local terms energy: -821.636740 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -151.606 flat angles C4'-P-C4' energy: -186.587 flat angles P-C4'-P energy: -106.624 tors. eta vs tors. theta energy: -229.982 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: 5 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2770.624712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.624712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.624712 (E_RNA) where: Base-Base interactions energy: -1981.357 where: short stacking energy: -796.800 Base-Backbone interact. energy: -7.591 local terms energy: -781.676723 where: bonds (distance) C4'-P energy: -152.163 bonds (distance) P-C4' energy: -144.277 flat angles C4'-P-C4' energy: -161.322 flat angles P-C4'-P energy: -119.229 tors. eta vs tors. theta energy: -204.686 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: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2618.122739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.122739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.122739 (E_RNA) where: Base-Base interactions energy: -1845.936 where: short stacking energy: -792.341 Base-Backbone interact. energy: -3.392 local terms energy: -768.794858 where: bonds (distance) C4'-P energy: -124.149 bonds (distance) P-C4' energy: -155.555 flat angles C4'-P-C4' energy: -172.094 flat angles P-C4'-P energy: -112.006 tors. eta vs tors. theta energy: -204.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2498.967856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.967856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.967856 (E_RNA) where: Base-Base interactions energy: -1800.072 where: short stacking energy: -752.437 Base-Backbone interact. energy: -2.075 local terms energy: -696.821161 where: bonds (distance) C4'-P energy: -128.111 bonds (distance) P-C4' energy: -125.428 flat angles C4'-P-C4' energy: -149.541 flat angles P-C4'-P energy: -104.646 tors. eta vs tors. theta energy: -189.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2414.178531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.178531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.178531 (E_RNA) where: Base-Base interactions energy: -1732.204 where: short stacking energy: -718.562 Base-Backbone interact. energy: -1.013 local terms energy: -680.961777 where: bonds (distance) C4'-P energy: -121.686 bonds (distance) P-C4' energy: -119.486 flat angles C4'-P-C4' energy: -155.913 flat angles P-C4'-P energy: -90.300 tors. eta vs tors. theta energy: -193.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -2124.077437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.077437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.077437 (E_RNA) where: Base-Base interactions energy: -1451.844 where: short stacking energy: -638.587 Base-Backbone interact. energy: -0.184 local terms energy: -672.050076 where: bonds (distance) C4'-P energy: -125.670 bonds (distance) P-C4' energy: -144.375 flat angles C4'-P-C4' energy: -146.441 flat angles P-C4'-P energy: -88.644 tors. eta vs tors. theta energy: -166.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1826.295895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.295895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.295895 (E_RNA) where: Base-Base interactions energy: -1249.669 where: short stacking energy: -548.982 Base-Backbone interact. energy: 1.092 local terms energy: -577.718917 where: bonds (distance) C4'-P energy: -131.717 bonds (distance) P-C4' energy: -105.979 flat angles C4'-P-C4' energy: -135.394 flat angles P-C4'-P energy: -86.925 tors. eta vs tors. theta energy: -117.703 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: 10, replica: 8 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1386.780755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.780755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.780755 (E_RNA) where: Base-Base interactions energy: -884.751 where: short stacking energy: -405.595 Base-Backbone interact. energy: 2.846 local terms energy: -504.875217 where: bonds (distance) C4'-P energy: -116.664 bonds (distance) P-C4' energy: -127.988 flat angles C4'-P-C4' energy: -110.809 flat angles P-C4'-P energy: -88.687 tors. eta vs tors. theta energy: -60.727 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: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3105.619906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.619906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.619906 (E_RNA) where: Base-Base interactions energy: -2241.455 where: short stacking energy: -916.899 Base-Backbone interact. energy: -0.067 local terms energy: -864.097534 where: bonds (distance) C4'-P energy: -146.580 bonds (distance) P-C4' energy: -153.327 flat angles C4'-P-C4' energy: -193.416 flat angles P-C4'-P energy: -117.652 tors. eta vs tors. theta energy: -253.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -3011.601740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.601740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.601740 (E_RNA) where: Base-Base interactions energy: -2122.385 where: short stacking energy: -898.003 Base-Backbone interact. energy: -3.267 local terms energy: -885.950019 where: bonds (distance) C4'-P energy: -165.216 bonds (distance) P-C4' energy: -156.977 flat angles C4'-P-C4' energy: -191.795 flat angles P-C4'-P energy: -118.550 tors. eta vs tors. theta energy: -253.412 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: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2884.771594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.771594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.771594 (E_RNA) where: Base-Base interactions energy: -2066.971 where: short stacking energy: -834.929 Base-Backbone interact. energy: 5.698 local terms energy: -823.498748 where: bonds (distance) C4'-P energy: -141.422 bonds (distance) P-C4' energy: -162.439 flat angles C4'-P-C4' energy: -169.299 flat angles P-C4'-P energy: -118.410 tors. eta vs tors. theta energy: -231.930 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: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2755.182766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.182766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.182766 (E_RNA) where: Base-Base interactions energy: -1970.810 where: short stacking energy: -809.446 Base-Backbone interact. energy: -2.739 local terms energy: -781.634103 where: bonds (distance) C4'-P energy: -149.129 bonds (distance) P-C4' energy: -149.397 flat angles C4'-P-C4' energy: -166.497 flat angles P-C4'-P energy: -106.122 tors. eta vs tors. theta energy: -210.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2608.317608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.317608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.317608 (E_RNA) where: Base-Base interactions energy: -1847.447 where: short stacking energy: -737.642 Base-Backbone interact. energy: -0.061 local terms energy: -760.810099 where: bonds (distance) C4'-P energy: -152.953 bonds (distance) P-C4' energy: -139.484 flat angles C4'-P-C4' energy: -164.289 flat angles P-C4'-P energy: -113.434 tors. eta vs tors. theta energy: -190.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2488.159662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.159662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.159662 (E_RNA) where: Base-Base interactions energy: -1783.340 where: short stacking energy: -777.236 Base-Backbone interact. energy: -5.556 local terms energy: -699.263099 where: bonds (distance) C4'-P energy: -126.604 bonds (distance) P-C4' energy: -148.267 flat angles C4'-P-C4' energy: -154.575 flat angles P-C4'-P energy: -102.938 tors. eta vs tors. theta energy: -166.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2422.440453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.440453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.440453 (E_RNA) where: Base-Base interactions energy: -1699.212 where: short stacking energy: -709.826 Base-Backbone interact. energy: -2.007 local terms energy: -721.221298 where: bonds (distance) C4'-P energy: -140.822 bonds (distance) P-C4' energy: -132.252 flat angles C4'-P-C4' energy: -160.485 flat angles P-C4'-P energy: -107.786 tors. eta vs tors. theta energy: -179.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -2123.714676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.714676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.714676 (E_RNA) where: Base-Base interactions energy: -1495.683 where: short stacking energy: -668.307 Base-Backbone interact. energy: -0.720 local terms energy: -627.311874 where: bonds (distance) C4'-P energy: -101.639 bonds (distance) P-C4' energy: -121.873 flat angles C4'-P-C4' energy: -151.797 flat angles P-C4'-P energy: -87.905 tors. eta vs tors. theta energy: -164.098 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: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1793.127627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.127627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.127627 (E_RNA) where: Base-Base interactions energy: -1194.887 where: short stacking energy: -537.983 Base-Backbone interact. energy: 2.648 local terms energy: -600.888870 where: bonds (distance) C4'-P energy: -114.923 bonds (distance) P-C4' energy: -130.791 flat angles C4'-P-C4' energy: -141.736 flat angles P-C4'-P energy: -95.931 tors. eta vs tors. theta energy: -117.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1451.104745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.104745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.104745 (E_RNA) where: Base-Base interactions energy: -931.245 where: short stacking energy: -404.340 Base-Backbone interact. energy: 0.185 local terms energy: -520.044379 where: bonds (distance) C4'-P energy: -122.084 bonds (distance) P-C4' energy: -132.956 flat angles C4'-P-C4' energy: -124.083 flat angles P-C4'-P energy: -87.115 tors. eta vs tors. theta energy: -53.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3106.452270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.452270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.452270 (E_RNA) where: Base-Base interactions energy: -2223.870 where: short stacking energy: -929.069 Base-Backbone interact. energy: -3.929 local terms energy: -878.653328 where: bonds (distance) C4'-P energy: -146.504 bonds (distance) P-C4' energy: -163.610 flat angles C4'-P-C4' energy: -187.248 flat angles P-C4'-P energy: -123.550 tors. eta vs tors. theta energy: -257.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -3037.415502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.415502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.415502 (E_RNA) where: Base-Base interactions energy: -2179.916 where: short stacking energy: -918.992 Base-Backbone interact. energy: -1.544 local terms energy: -855.955662 where: bonds (distance) C4'-P energy: -159.302 bonds (distance) P-C4' energy: -141.183 flat angles C4'-P-C4' energy: -192.346 flat angles P-C4'-P energy: -120.026 tors. eta vs tors. theta energy: -243.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2891.193760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.193760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.193760 (E_RNA) where: Base-Base interactions energy: -2077.667 where: short stacking energy: -855.187 Base-Backbone interact. energy: 0.202 local terms energy: -813.729209 where: bonds (distance) C4'-P energy: -139.124 bonds (distance) P-C4' energy: -155.369 flat angles C4'-P-C4' energy: -168.093 flat angles P-C4'-P energy: -113.348 tors. eta vs tors. theta energy: -237.796 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: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2773.662877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.662877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.662877 (E_RNA) where: Base-Base interactions energy: -2013.901 where: short stacking energy: -811.114 Base-Backbone interact. energy: -3.896 local terms energy: -755.866364 where: bonds (distance) C4'-P energy: -132.485 bonds (distance) P-C4' energy: -136.420 flat angles C4'-P-C4' energy: -166.936 flat angles P-C4'-P energy: -124.291 tors. eta vs tors. theta energy: -195.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2600.746392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.746392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.746392 (E_RNA) where: Base-Base interactions energy: -1868.398 where: short stacking energy: -775.760 Base-Backbone interact. energy: -3.362 local terms energy: -728.987236 where: bonds (distance) C4'-P energy: -120.986 bonds (distance) P-C4' energy: -148.176 flat angles C4'-P-C4' energy: -160.853 flat angles P-C4'-P energy: -106.388 tors. eta vs tors. theta energy: -192.584 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: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2499.743766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.743766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.743766 (E_RNA) where: Base-Base interactions energy: -1748.763 where: short stacking energy: -744.632 Base-Backbone interact. energy: -4.987 local terms energy: -745.993750 where: bonds (distance) C4'-P energy: -138.215 bonds (distance) P-C4' energy: -144.778 flat angles C4'-P-C4' energy: -159.304 flat angles P-C4'-P energy: -114.950 tors. eta vs tors. theta energy: -188.747 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: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2475.069850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.069850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.069850 (E_RNA) where: Base-Base interactions energy: -1743.032 where: short stacking energy: -722.300 Base-Backbone interact. energy: 7.959 local terms energy: -739.997047 where: bonds (distance) C4'-P energy: -129.786 bonds (distance) P-C4' energy: -159.459 flat angles C4'-P-C4' energy: -149.208 flat angles P-C4'-P energy: -102.909 tors. eta vs tors. theta energy: -198.635 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: 415 Temperature: 1.250000 Total energy: -2138.691176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.691176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.691176 (E_RNA) where: Base-Base interactions energy: -1476.262 where: short stacking energy: -630.508 Base-Backbone interact. energy: -0.703 local terms energy: -661.726674 where: bonds (distance) C4'-P energy: -126.564 bonds (distance) P-C4' energy: -133.232 flat angles C4'-P-C4' energy: -142.110 flat angles P-C4'-P energy: -109.211 tors. eta vs tors. theta energy: -150.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1856.226852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.226852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.226852 (E_RNA) where: Base-Base interactions energy: -1256.182 where: short stacking energy: -535.308 Base-Backbone interact. energy: -4.214 local terms energy: -595.830670 where: bonds (distance) C4'-P energy: -126.762 bonds (distance) P-C4' energy: -119.142 flat angles C4'-P-C4' energy: -149.660 flat angles P-C4'-P energy: -92.469 tors. eta vs tors. theta energy: -107.797 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: 415 Temperature: 1.350000 Total energy: -1378.979313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.979313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.979313 (E_RNA) where: Base-Base interactions energy: -915.176 where: short stacking energy: -415.207 Base-Backbone interact. energy: 3.238 local terms energy: -467.041839 where: bonds (distance) C4'-P energy: -125.399 bonds (distance) P-C4' energy: -102.216 flat angles C4'-P-C4' energy: -125.525 flat angles P-C4'-P energy: -70.158 tors. eta vs tors. theta energy: -43.744 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: 7 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3122.301599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.301599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.301599 (E_RNA) where: Base-Base interactions energy: -2219.048 where: short stacking energy: -920.440 Base-Backbone interact. energy: -1.237 local terms energy: -902.015979 where: bonds (distance) C4'-P energy: -149.245 bonds (distance) P-C4' energy: -165.706 flat angles C4'-P-C4' energy: -191.094 flat angles P-C4'-P energy: -137.225 tors. eta vs tors. theta energy: -258.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -3010.518042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.518042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.518042 (E_RNA) where: Base-Base interactions energy: -2142.603 where: short stacking energy: -910.834 Base-Backbone interact. energy: -4.118 local terms energy: -863.796980 where: bonds (distance) C4'-P energy: -144.970 bonds (distance) P-C4' energy: -152.701 flat angles C4'-P-C4' energy: -196.426 flat angles P-C4'-P energy: -117.662 tors. eta vs tors. theta energy: -252.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2907.476164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.476164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.476164 (E_RNA) where: Base-Base interactions energy: -2076.689 where: short stacking energy: -854.806 Base-Backbone interact. energy: -6.537 local terms energy: -824.249755 where: bonds (distance) C4'-P energy: -160.262 bonds (distance) P-C4' energy: -150.234 flat angles C4'-P-C4' energy: -178.084 flat angles P-C4'-P energy: -105.480 tors. eta vs tors. theta energy: -230.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2780.539349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.539349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.539349 (E_RNA) where: Base-Base interactions energy: -2011.960 where: short stacking energy: -821.235 Base-Backbone interact. energy: -4.158 local terms energy: -764.421820 where: bonds (distance) C4'-P energy: -142.095 bonds (distance) P-C4' energy: -140.958 flat angles C4'-P-C4' energy: -169.024 flat angles P-C4'-P energy: -98.557 tors. eta vs tors. theta energy: -213.788 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: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2593.773143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.773143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.773143 (E_RNA) where: Base-Base interactions energy: -1843.445 where: short stacking energy: -780.510 Base-Backbone interact. energy: 2.486 local terms energy: -752.814417 where: bonds (distance) C4'-P energy: -149.414 bonds (distance) P-C4' energy: -139.511 flat angles C4'-P-C4' energy: -166.238 flat angles P-C4'-P energy: -112.310 tors. eta vs tors. theta energy: -185.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2565.693122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.693122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.693122 (E_RNA) where: Base-Base interactions energy: -1832.672 where: short stacking energy: -772.707 Base-Backbone interact. energy: -4.457 local terms energy: -728.564482 where: bonds (distance) C4'-P energy: -122.675 bonds (distance) P-C4' energy: -140.668 flat angles C4'-P-C4' energy: -160.619 flat angles P-C4'-P energy: -107.425 tors. eta vs tors. theta energy: -197.177 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: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2376.542067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.542067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.542067 (E_RNA) where: Base-Base interactions energy: -1702.149 where: short stacking energy: -694.647 Base-Backbone interact. energy: -4.021 local terms energy: -670.371802 where: bonds (distance) C4'-P energy: -121.579 bonds (distance) P-C4' energy: -128.012 flat angles C4'-P-C4' energy: -144.561 flat angles P-C4'-P energy: -101.088 tors. eta vs tors. theta energy: -175.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -2145.690425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.690425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.690425 (E_RNA) where: Base-Base interactions energy: -1506.286 where: short stacking energy: -658.046 Base-Backbone interact. energy: -1.244 local terms energy: -638.160590 where: bonds (distance) C4'-P energy: -128.357 bonds (distance) P-C4' energy: -119.070 flat angles C4'-P-C4' energy: -153.742 flat angles P-C4'-P energy: -76.954 tors. eta vs tors. theta energy: -160.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1880.123445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.123445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.123445 (E_RNA) where: Base-Base interactions energy: -1308.901 where: short stacking energy: -555.403 Base-Backbone interact. energy: -3.414 local terms energy: -567.808540 where: bonds (distance) C4'-P energy: -127.284 bonds (distance) P-C4' energy: -115.060 flat angles C4'-P-C4' energy: -137.498 flat angles P-C4'-P energy: -74.748 tors. eta vs tors. theta energy: -113.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1349.846945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.846945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.846945 (E_RNA) where: Base-Base interactions energy: -861.132 where: short stacking energy: -400.962 Base-Backbone interact. energy: -1.540 local terms energy: -487.175678 where: bonds (distance) C4'-P energy: -101.734 bonds (distance) P-C4' energy: -123.522 flat angles C4'-P-C4' energy: -127.593 flat angles P-C4'-P energy: -85.157 tors. eta vs tors. theta energy: -49.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3108.108351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.108351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.108351 (E_RNA) where: Base-Base interactions energy: -2252.320 where: short stacking energy: -939.866 Base-Backbone interact. energy: -4.149 local terms energy: -851.639991 where: bonds (distance) C4'-P energy: -139.337 bonds (distance) P-C4' energy: -146.908 flat angles C4'-P-C4' energy: -191.790 flat angles P-C4'-P energy: -121.126 tors. eta vs tors. theta energy: -252.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -3010.186730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.186730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.186730 (E_RNA) where: Base-Base interactions energy: -2163.799 where: short stacking energy: -924.184 Base-Backbone interact. energy: 2.328 local terms energy: -848.715400 where: bonds (distance) C4'-P energy: -142.288 bonds (distance) P-C4' energy: -158.582 flat angles C4'-P-C4' energy: -180.734 flat angles P-C4'-P energy: -118.511 tors. eta vs tors. theta energy: -248.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2910.443880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.443880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.443880 (E_RNA) where: Base-Base interactions energy: -2080.495 where: short stacking energy: -856.801 Base-Backbone interact. energy: -0.230 local terms energy: -829.719251 where: bonds (distance) C4'-P energy: -158.272 bonds (distance) P-C4' energy: -146.542 flat angles C4'-P-C4' energy: -177.685 flat angles P-C4'-P energy: -114.033 tors. eta vs tors. theta energy: -233.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2759.326244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.326244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.326244 (E_RNA) where: Base-Base interactions energy: -1968.342 where: short stacking energy: -786.633 Base-Backbone interact. energy: -4.574 local terms energy: -786.410351 where: bonds (distance) C4'-P energy: -153.573 bonds (distance) P-C4' energy: -157.597 flat angles C4'-P-C4' energy: -155.507 flat angles P-C4'-P energy: -108.421 tors. eta vs tors. theta energy: -211.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2601.863436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.863436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.863436 (E_RNA) where: Base-Base interactions energy: -1864.107 where: short stacking energy: -747.962 Base-Backbone interact. energy: -7.256 local terms energy: -730.500559 where: bonds (distance) C4'-P energy: -140.226 bonds (distance) P-C4' energy: -146.008 flat angles C4'-P-C4' energy: -155.669 flat angles P-C4'-P energy: -99.978 tors. eta vs tors. theta energy: -188.619 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: 6, replica: 10 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2472.092956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.092956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.092956 (E_RNA) where: Base-Base interactions energy: -1745.928 where: short stacking energy: -745.655 Base-Backbone interact. energy: -0.160 local terms energy: -726.004943 where: bonds (distance) C4'-P energy: -148.579 bonds (distance) P-C4' energy: -138.715 flat angles C4'-P-C4' energy: -145.306 flat angles P-C4'-P energy: -105.430 tors. eta vs tors. theta energy: -187.976 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: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2343.236368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.236368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.236368 (E_RNA) where: Base-Base interactions energy: -1678.884 where: short stacking energy: -687.619 Base-Backbone interact. energy: 0.282 local terms energy: -664.634675 where: bonds (distance) C4'-P energy: -133.357 bonds (distance) P-C4' energy: -133.167 flat angles C4'-P-C4' energy: -136.684 flat angles P-C4'-P energy: -92.711 tors. eta vs tors. theta energy: -168.715 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: 9 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -2114.860732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.860732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.860732 (E_RNA) where: Base-Base interactions energy: -1463.144 where: short stacking energy: -613.727 Base-Backbone interact. energy: -0.868 local terms energy: -650.848007 where: bonds (distance) C4'-P energy: -144.062 bonds (distance) P-C4' energy: -124.923 flat angles C4'-P-C4' energy: -137.699 flat angles P-C4'-P energy: -99.617 tors. eta vs tors. theta energy: -144.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1896.969845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.969845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.969845 (E_RNA) where: Base-Base interactions energy: -1322.363 where: short stacking energy: -578.409 Base-Backbone interact. energy: 2.951 local terms energy: -577.558465 where: bonds (distance) C4'-P energy: -112.503 bonds (distance) P-C4' energy: -137.559 flat angles C4'-P-C4' energy: -117.986 flat angles P-C4'-P energy: -88.729 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: 10, replica: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1305.501844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.501844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.501844 (E_RNA) where: Base-Base interactions energy: -829.379 where: short stacking energy: -420.923 Base-Backbone interact. energy: -1.031 local terms energy: -475.092432 where: bonds (distance) C4'-P energy: -97.228 bonds (distance) P-C4' energy: -114.963 flat angles C4'-P-C4' energy: -122.954 flat angles P-C4'-P energy: -89.752 tors. eta vs tors. theta energy: -50.196 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: 7 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3114.369184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.369184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.369184 (E_RNA) where: Base-Base interactions energy: -2223.572 where: short stacking energy: -924.963 Base-Backbone interact. energy: -4.330 local terms energy: -886.467090 where: bonds (distance) C4'-P energy: -160.818 bonds (distance) P-C4' energy: -162.976 flat angles C4'-P-C4' energy: -188.907 flat angles P-C4'-P energy: -119.237 tors. eta vs tors. theta energy: -254.529 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: 2, replica: 1 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2966.887219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.887219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.887219 (E_RNA) where: Base-Base interactions energy: -2087.958 where: short stacking energy: -872.971 Base-Backbone interact. energy: -6.793 local terms energy: -872.135599 where: bonds (distance) C4'-P energy: -150.263 bonds (distance) P-C4' energy: -164.937 flat angles C4'-P-C4' energy: -191.483 flat angles P-C4'-P energy: -121.946 tors. eta vs tors. theta energy: -243.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2878.531909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.531909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.531909 (E_RNA) where: Base-Base interactions energy: -2072.613 where: short stacking energy: -850.016 Base-Backbone interact. energy: -0.597 local terms energy: -805.321596 where: bonds (distance) C4'-P energy: -132.393 bonds (distance) P-C4' energy: -146.804 flat angles C4'-P-C4' energy: -181.750 flat angles P-C4'-P energy: -121.599 tors. eta vs tors. theta energy: -222.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2729.970933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.970933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.970933 (E_RNA) where: Base-Base interactions energy: -1944.355 where: short stacking energy: -802.988 Base-Backbone interact. energy: -2.949 local terms energy: -782.666682 where: bonds (distance) C4'-P energy: -152.058 bonds (distance) P-C4' energy: -135.155 flat angles C4'-P-C4' energy: -163.416 flat angles P-C4'-P energy: -121.359 tors. eta vs tors. theta energy: -210.678 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: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2592.174765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.174765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.174765 (E_RNA) where: Base-Base interactions energy: -1862.064 where: short stacking energy: -743.097 Base-Backbone interact. energy: -3.827 local terms energy: -726.283833 where: bonds (distance) C4'-P energy: -127.160 bonds (distance) P-C4' energy: -148.573 flat angles C4'-P-C4' energy: -154.441 flat angles P-C4'-P energy: -111.742 tors. eta vs tors. theta energy: -184.367 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: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2505.954473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.954473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.954473 (E_RNA) where: Base-Base interactions energy: -1758.958 where: short stacking energy: -752.601 Base-Backbone interact. energy: -4.044 local terms energy: -742.951781 where: bonds (distance) C4'-P energy: -136.277 bonds (distance) P-C4' energy: -142.972 flat angles C4'-P-C4' energy: -165.838 flat angles P-C4'-P energy: -100.806 tors. eta vs tors. theta energy: -197.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2351.914671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.914671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.914671 (E_RNA) where: Base-Base interactions energy: -1659.161 where: short stacking energy: -686.580 Base-Backbone interact. energy: -5.311 local terms energy: -687.443214 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -128.694 flat angles C4'-P-C4' energy: -154.852 flat angles P-C4'-P energy: -107.165 tors. eta vs tors. theta energy: -175.285 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: 418 Temperature: 1.250000 Total energy: -2067.801284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.801284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.801284 (E_RNA) where: Base-Base interactions energy: -1433.962 where: short stacking energy: -629.399 Base-Backbone interact. energy: -2.005 local terms energy: -631.833796 where: bonds (distance) C4'-P energy: -124.665 bonds (distance) P-C4' energy: -130.860 flat angles C4'-P-C4' energy: -128.061 flat angles P-C4'-P energy: -92.789 tors. eta vs tors. theta energy: -155.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1778.672434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.672434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.672434 (E_RNA) where: Base-Base interactions energy: -1213.887 where: short stacking energy: -516.614 Base-Backbone interact. energy: -2.100 local terms energy: -562.685282 where: bonds (distance) C4'-P energy: -101.814 bonds (distance) P-C4' energy: -129.845 flat angles C4'-P-C4' energy: -147.728 flat angles P-C4'-P energy: -79.168 tors. eta vs tors. theta energy: -104.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1206.356153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.356153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.356153 (E_RNA) where: Base-Base interactions energy: -738.966 where: short stacking energy: -318.521 Base-Backbone interact. energy: 3.963 local terms energy: -471.353619 where: bonds (distance) C4'-P energy: -135.721 bonds (distance) P-C4' energy: -122.710 flat angles C4'-P-C4' energy: -124.477 flat angles P-C4'-P energy: -59.082 tors. eta vs tors. theta energy: -29.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3088.229909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.229909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.229909 (E_RNA) where: Base-Base interactions energy: -2203.613 where: short stacking energy: -926.207 Base-Backbone interact. energy: -1.773 local terms energy: -882.843182 where: bonds (distance) C4'-P energy: -161.552 bonds (distance) P-C4' energy: -165.160 flat angles C4'-P-C4' energy: -172.515 flat angles P-C4'-P energy: -123.443 tors. eta vs tors. theta energy: -260.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -3016.409584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.409584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.409584 (E_RNA) where: Base-Base interactions energy: -2136.094 where: short stacking energy: -914.205 Base-Backbone interact. energy: -2.247 local terms energy: -878.068583 where: bonds (distance) C4'-P energy: -174.933 bonds (distance) P-C4' energy: -156.216 flat angles C4'-P-C4' energy: -198.573 flat angles P-C4'-P energy: -99.702 tors. eta vs tors. theta energy: -248.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2910.108057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.108057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.108057 (E_RNA) where: Base-Base interactions energy: -2097.181 where: short stacking energy: -871.420 Base-Backbone interact. energy: -0.461 local terms energy: -812.466187 where: bonds (distance) C4'-P energy: -146.979 bonds (distance) P-C4' energy: -141.863 flat angles C4'-P-C4' energy: -171.577 flat angles P-C4'-P energy: -120.805 tors. eta vs tors. theta energy: -231.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2725.613587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.613587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.613587 (E_RNA) where: Base-Base interactions energy: -1946.543 where: short stacking energy: -801.708 Base-Backbone interact. energy: -4.723 local terms energy: -774.347472 where: bonds (distance) C4'-P energy: -138.069 bonds (distance) P-C4' energy: -153.467 flat angles C4'-P-C4' energy: -163.044 flat angles P-C4'-P energy: -106.815 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: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2639.866588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.866588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.866588 (E_RNA) where: Base-Base interactions energy: -1892.147 where: short stacking energy: -765.684 Base-Backbone interact. energy: -2.945 local terms energy: -744.774724 where: bonds (distance) C4'-P energy: -139.790 bonds (distance) P-C4' energy: -130.043 flat angles C4'-P-C4' energy: -173.803 flat angles P-C4'-P energy: -106.650 tors. eta vs tors. theta energy: -194.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2530.447114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.447114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.447114 (E_RNA) where: Base-Base interactions energy: -1801.371 where: short stacking energy: -745.798 Base-Backbone interact. energy: -1.440 local terms energy: -727.635987 where: bonds (distance) C4'-P energy: -145.834 bonds (distance) P-C4' energy: -147.669 flat angles C4'-P-C4' energy: -165.780 flat angles P-C4'-P energy: -89.567 tors. eta vs tors. theta energy: -178.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2334.873435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.873435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.873435 (E_RNA) where: Base-Base interactions energy: -1647.898 where: short stacking energy: -678.577 Base-Backbone interact. energy: -2.238 local terms energy: -684.736741 where: bonds (distance) C4'-P energy: -127.326 bonds (distance) P-C4' energy: -137.394 flat angles C4'-P-C4' energy: -157.529 flat angles P-C4'-P energy: -94.056 tors. eta vs tors. theta energy: -168.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -2082.960626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.960626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.960626 (E_RNA) where: Base-Base interactions energy: -1414.263 where: short stacking energy: -639.377 Base-Backbone interact. energy: -1.163 local terms energy: -667.534133 where: bonds (distance) C4'-P energy: -136.432 bonds (distance) P-C4' energy: -125.410 flat angles C4'-P-C4' energy: -142.811 flat angles P-C4'-P energy: -95.015 tors. eta vs tors. theta energy: -167.866 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: 6 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1794.371627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.371627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.371627 (E_RNA) where: Base-Base interactions energy: -1216.381 where: short stacking energy: -543.048 Base-Backbone interact. energy: -1.088 local terms energy: -576.902600 where: bonds (distance) C4'-P energy: -110.648 bonds (distance) P-C4' energy: -135.892 flat angles C4'-P-C4' energy: -141.014 flat angles P-C4'-P energy: -72.859 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: 10, replica: 8 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1240.161955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.161955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.161955 (E_RNA) where: Base-Base interactions energy: -749.714 where: short stacking energy: -357.113 Base-Backbone interact. energy: 2.272 local terms energy: -492.719729 where: bonds (distance) C4'-P energy: -126.240 bonds (distance) P-C4' energy: -138.449 flat angles C4'-P-C4' energy: -127.628 flat angles P-C4'-P energy: -81.593 tors. eta vs tors. theta energy: -18.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3105.742899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.742899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.742899 (E_RNA) where: Base-Base interactions energy: -2216.185 where: short stacking energy: -905.590 Base-Backbone interact. energy: 0.041 local terms energy: -889.599005 where: bonds (distance) C4'-P energy: -158.227 bonds (distance) P-C4' energy: -169.985 flat angles C4'-P-C4' energy: -184.251 flat angles P-C4'-P energy: -124.097 tors. eta vs tors. theta energy: -253.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2989.262734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.262734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.262734 (E_RNA) where: Base-Base interactions energy: -2117.907 where: short stacking energy: -890.582 Base-Backbone interact. energy: -7.253 local terms energy: -864.102730 where: bonds (distance) C4'-P energy: -161.705 bonds (distance) P-C4' energy: -155.058 flat angles C4'-P-C4' energy: -186.431 flat angles P-C4'-P energy: -101.887 tors. eta vs tors. theta energy: -259.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2902.038309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.038309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.038309 (E_RNA) where: Base-Base interactions energy: -2048.583 where: short stacking energy: -848.503 Base-Backbone interact. energy: -5.176 local terms energy: -848.278964 where: bonds (distance) C4'-P energy: -151.088 bonds (distance) P-C4' energy: -150.275 flat angles C4'-P-C4' energy: -185.836 flat angles P-C4'-P energy: -115.559 tors. eta vs tors. theta energy: -245.521 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: 5 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2748.698245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.698245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.698245 (E_RNA) where: Base-Base interactions energy: -2013.018 where: short stacking energy: -786.965 Base-Backbone interact. energy: 1.782 local terms energy: -737.462499 where: bonds (distance) C4'-P energy: -126.476 bonds (distance) P-C4' energy: -136.995 flat angles C4'-P-C4' energy: -166.135 flat angles P-C4'-P energy: -91.780 tors. eta vs tors. theta energy: -216.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2664.608391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.608391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.608391 (E_RNA) where: Base-Base interactions energy: -1902.209 where: short stacking energy: -787.424 Base-Backbone interact. energy: -4.730 local terms energy: -757.668984 where: bonds (distance) C4'-P energy: -138.297 bonds (distance) P-C4' energy: -138.416 flat angles C4'-P-C4' energy: -171.347 flat angles P-C4'-P energy: -111.726 tors. eta vs tors. theta energy: -197.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2541.228030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.228030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.228030 (E_RNA) where: Base-Base interactions energy: -1826.625 where: short stacking energy: -764.464 Base-Backbone interact. energy: -2.425 local terms energy: -712.177732 where: bonds (distance) C4'-P energy: -156.500 bonds (distance) P-C4' energy: -134.459 flat angles C4'-P-C4' energy: -150.512 flat angles P-C4'-P energy: -90.383 tors. eta vs tors. theta energy: -180.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2303.380739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.380739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.380739 (E_RNA) where: Base-Base interactions energy: -1589.139 where: short stacking energy: -668.999 Base-Backbone interact. energy: 3.065 local terms energy: -717.306935 where: bonds (distance) C4'-P energy: -142.001 bonds (distance) P-C4' energy: -145.276 flat angles C4'-P-C4' energy: -154.615 flat angles P-C4'-P energy: -103.877 tors. eta vs tors. theta energy: -171.538 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: 420 Temperature: 1.250000 Total energy: -2064.373135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.373135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.373135 (E_RNA) where: Base-Base interactions energy: -1389.975 where: short stacking energy: -636.002 Base-Backbone interact. energy: -3.508 local terms energy: -670.889948 where: bonds (distance) C4'-P energy: -135.560 bonds (distance) P-C4' energy: -152.813 flat angles C4'-P-C4' energy: -151.625 flat angles P-C4'-P energy: -92.419 tors. eta vs tors. theta energy: -138.474 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: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1859.131839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.131839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.131839 (E_RNA) where: Base-Base interactions energy: -1260.318 where: short stacking energy: -536.310 Base-Backbone interact. energy: -4.148 local terms energy: -594.665266 where: bonds (distance) C4'-P energy: -105.461 bonds (distance) P-C4' energy: -125.780 flat angles C4'-P-C4' energy: -135.934 flat angles P-C4'-P energy: -105.981 tors. eta vs tors. theta energy: -121.509 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: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1280.951363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.951363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.951363 (E_RNA) where: Base-Base interactions energy: -805.886 where: short stacking energy: -346.548 Base-Backbone interact. energy: -4.409 local terms energy: -470.656402 where: bonds (distance) C4'-P energy: -118.421 bonds (distance) P-C4' energy: -125.206 flat angles C4'-P-C4' energy: -141.623 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -16.287 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: 1, replica: 7 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3097.224775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.224775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.224775 (E_RNA) where: Base-Base interactions energy: -2220.560 where: short stacking energy: -894.341 Base-Backbone interact. energy: 4.002 local terms energy: -880.666357 where: bonds (distance) C4'-P energy: -167.465 bonds (distance) P-C4' energy: -162.321 flat angles C4'-P-C4' energy: -177.661 flat angles P-C4'-P energy: -126.447 tors. eta vs tors. theta energy: -246.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2986.786239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.786239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.786239 (E_RNA) where: Base-Base interactions energy: -2143.468 where: short stacking energy: -892.038 Base-Backbone interact. energy: -3.034 local terms energy: -840.283956 where: bonds (distance) C4'-P energy: -138.088 bonds (distance) P-C4' energy: -158.339 flat angles C4'-P-C4' energy: -176.892 flat angles P-C4'-P energy: -118.765 tors. eta vs tors. theta energy: -248.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2883.770994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.770994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.770994 (E_RNA) where: Base-Base interactions energy: -2077.437 where: short stacking energy: -872.285 Base-Backbone interact. energy: 0.076 local terms energy: -806.409465 where: bonds (distance) C4'-P energy: -154.942 bonds (distance) P-C4' energy: -143.093 flat angles C4'-P-C4' energy: -173.150 flat angles P-C4'-P energy: -95.721 tors. eta vs tors. theta energy: -239.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2742.368470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.368470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.368470 (E_RNA) where: Base-Base interactions energy: -1969.537 where: short stacking energy: -781.927 Base-Backbone interact. energy: -4.610 local terms energy: -768.221307 where: bonds (distance) C4'-P energy: -129.943 bonds (distance) P-C4' energy: -150.439 flat angles C4'-P-C4' energy: -164.741 flat angles P-C4'-P energy: -117.619 tors. eta vs tors. theta energy: -205.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2664.012554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.012554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.012554 (E_RNA) where: Base-Base interactions energy: -1915.590 where: short stacking energy: -809.493 Base-Backbone interact. energy: 1.217 local terms energy: -749.639247 where: bonds (distance) C4'-P energy: -148.810 bonds (distance) P-C4' energy: -129.930 flat angles C4'-P-C4' energy: -161.013 flat angles P-C4'-P energy: -104.931 tors. eta vs tors. theta energy: -204.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2522.731595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.731595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.731595 (E_RNA) where: Base-Base interactions energy: -1784.709 where: short stacking energy: -759.094 Base-Backbone interact. energy: -4.631 local terms energy: -733.391948 where: bonds (distance) C4'-P energy: -128.315 bonds (distance) P-C4' energy: -144.778 flat angles C4'-P-C4' energy: -159.098 flat angles P-C4'-P energy: -107.849 tors. eta vs tors. theta energy: -193.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2313.566577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.566577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.566577 (E_RNA) where: Base-Base interactions energy: -1631.053 where: short stacking energy: -660.735 Base-Backbone interact. energy: -2.562 local terms energy: -679.951145 where: bonds (distance) C4'-P energy: -124.659 bonds (distance) P-C4' energy: -148.333 flat angles C4'-P-C4' energy: -152.514 flat angles P-C4'-P energy: -83.883 tors. eta vs tors. theta energy: -170.562 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: 421 Temperature: 1.250000 Total energy: -2041.308058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.308058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.308058 (E_RNA) where: Base-Base interactions energy: -1402.053 where: short stacking energy: -611.613 Base-Backbone interact. energy: -0.468 local terms energy: -638.786788 where: bonds (distance) C4'-P energy: -119.909 bonds (distance) P-C4' energy: -138.413 flat angles C4'-P-C4' energy: -149.026 flat angles P-C4'-P energy: -90.774 tors. eta vs tors. theta energy: -140.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1845.722337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.722337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.722337 (E_RNA) where: Base-Base interactions energy: -1235.552 where: short stacking energy: -545.746 Base-Backbone interact. energy: -0.113 local terms energy: -610.057409 where: bonds (distance) C4'-P energy: -125.840 bonds (distance) P-C4' energy: -135.951 flat angles C4'-P-C4' energy: -150.818 flat angles P-C4'-P energy: -73.180 tors. eta vs tors. theta energy: -124.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1367.949763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.949763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.949763 (E_RNA) where: Base-Base interactions energy: -871.790 where: short stacking energy: -387.498 Base-Backbone interact. energy: 0.934 local terms energy: -497.093961 where: bonds (distance) C4'-P energy: -133.830 bonds (distance) P-C4' energy: -142.642 flat angles C4'-P-C4' energy: -121.433 flat angles P-C4'-P energy: -49.217 tors. eta vs tors. theta energy: -49.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3094.969552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.969552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.969552 (E_RNA) where: Base-Base interactions energy: -2218.274 where: short stacking energy: -928.342 Base-Backbone interact. energy: 0.373 local terms energy: -877.068293 where: bonds (distance) C4'-P energy: -153.492 bonds (distance) P-C4' energy: -161.016 flat angles C4'-P-C4' energy: -188.376 flat angles P-C4'-P energy: -124.847 tors. eta vs tors. theta energy: -249.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2986.676530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.676530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.676530 (E_RNA) where: Base-Base interactions energy: -2117.238 where: short stacking energy: -871.000 Base-Backbone interact. energy: -3.934 local terms energy: -865.504166 where: bonds (distance) C4'-P energy: -141.378 bonds (distance) P-C4' energy: -160.649 flat angles C4'-P-C4' energy: -183.088 flat angles P-C4'-P energy: -121.362 tors. eta vs tors. theta energy: -259.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2872.336140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.336140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.336140 (E_RNA) where: Base-Base interactions energy: -2035.157 where: short stacking energy: -836.310 Base-Backbone interact. energy: -6.338 local terms energy: -830.841344 where: bonds (distance) C4'-P energy: -154.188 bonds (distance) P-C4' energy: -162.737 flat angles C4'-P-C4' energy: -172.192 flat angles P-C4'-P energy: -118.609 tors. eta vs tors. theta energy: -223.115 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: 5 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2733.013374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.013374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.013374 (E_RNA) where: Base-Base interactions energy: -1954.127 where: short stacking energy: -799.189 Base-Backbone interact. energy: -2.714 local terms energy: -776.172753 where: bonds (distance) C4'-P energy: -136.205 bonds (distance) P-C4' energy: -133.130 flat angles C4'-P-C4' energy: -176.534 flat angles P-C4'-P energy: -115.809 tors. eta vs tors. theta energy: -214.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2694.568455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.568455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.568455 (E_RNA) where: Base-Base interactions energy: -1911.744 where: short stacking energy: -805.154 Base-Backbone interact. energy: -1.575 local terms energy: -781.250364 where: bonds (distance) C4'-P energy: -150.082 bonds (distance) P-C4' energy: -151.255 flat angles C4'-P-C4' energy: -175.359 flat angles P-C4'-P energy: -108.099 tors. eta vs tors. theta energy: -196.456 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: 422 Temperature: 1.150000 Total energy: -2547.169880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.169880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.169880 (E_RNA) where: Base-Base interactions energy: -1859.946 where: short stacking energy: -770.889 Base-Backbone interact. energy: -2.223 local terms energy: -685.000441 where: bonds (distance) C4'-P energy: -128.025 bonds (distance) P-C4' energy: -141.799 flat angles C4'-P-C4' energy: -151.210 flat angles P-C4'-P energy: -68.463 tors. eta vs tors. theta energy: -195.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2303.774775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.774775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.774775 (E_RNA) where: Base-Base interactions energy: -1637.514 where: short stacking energy: -710.893 Base-Backbone interact. energy: -3.510 local terms energy: -662.750217 where: bonds (distance) C4'-P energy: -121.016 bonds (distance) P-C4' energy: -131.675 flat angles C4'-P-C4' energy: -158.050 flat angles P-C4'-P energy: -79.161 tors. eta vs tors. theta energy: -172.849 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: 422 Temperature: 1.250000 Total energy: -2028.277923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.277923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.277923 (E_RNA) where: Base-Base interactions energy: -1406.759 where: short stacking energy: -601.929 Base-Backbone interact. energy: 1.591 local terms energy: -623.110029 where: bonds (distance) C4'-P energy: -107.053 bonds (distance) P-C4' energy: -143.728 flat angles C4'-P-C4' energy: -129.727 flat angles P-C4'-P energy: -95.739 tors. eta vs tors. theta energy: -146.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1846.358533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.358533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.358533 (E_RNA) where: Base-Base interactions energy: -1269.402 where: short stacking energy: -524.977 Base-Backbone interact. energy: 0.405 local terms energy: -577.361548 where: bonds (distance) C4'-P energy: -119.062 bonds (distance) P-C4' energy: -137.115 flat angles C4'-P-C4' energy: -127.944 flat angles P-C4'-P energy: -87.966 tors. eta vs tors. theta energy: -105.274 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: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1326.225029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.225029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.225029 (E_RNA) where: Base-Base interactions energy: -853.472 where: short stacking energy: -379.652 Base-Backbone interact. energy: -1.795 local terms energy: -470.958104 where: bonds (distance) C4'-P energy: -98.823 bonds (distance) P-C4' energy: -133.551 flat angles C4'-P-C4' energy: -123.863 flat angles P-C4'-P energy: -71.734 tors. eta vs tors. theta energy: -42.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3108.684383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.684383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.684383 (E_RNA) where: Base-Base interactions energy: -2225.047 where: short stacking energy: -907.532 Base-Backbone interact. energy: -1.119 local terms energy: -882.518213 where: bonds (distance) C4'-P energy: -142.107 bonds (distance) P-C4' energy: -171.632 flat angles C4'-P-C4' energy: -184.350 flat angles P-C4'-P energy: -134.644 tors. eta vs tors. theta energy: -249.785 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: 423 Temperature: 0.950000 Total energy: -3021.687709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.687709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.687709 (E_RNA) where: Base-Base interactions energy: -2143.006 where: short stacking energy: -905.383 Base-Backbone interact. energy: -4.488 local terms energy: -874.194649 where: bonds (distance) C4'-P energy: -166.805 bonds (distance) P-C4' energy: -153.681 flat angles C4'-P-C4' energy: -182.019 flat angles P-C4'-P energy: -117.594 tors. eta vs tors. theta energy: -254.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2871.062088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.062088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.062088 (E_RNA) where: Base-Base interactions energy: -2075.706 where: short stacking energy: -832.825 Base-Backbone interact. energy: -5.550 local terms energy: -789.806187 where: bonds (distance) C4'-P energy: -138.095 bonds (distance) P-C4' energy: -136.314 flat angles C4'-P-C4' energy: -180.299 flat angles P-C4'-P energy: -118.966 tors. eta vs tors. theta energy: -216.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2760.852282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.852282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.852282 (E_RNA) where: Base-Base interactions energy: -1960.965 where: short stacking energy: -788.476 Base-Backbone interact. energy: -8.515 local terms energy: -791.371813 where: bonds (distance) C4'-P energy: -156.272 bonds (distance) P-C4' energy: -142.391 flat angles C4'-P-C4' energy: -176.721 flat angles P-C4'-P energy: -98.007 tors. eta vs tors. theta energy: -217.981 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: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2645.531363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.531363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.531363 (E_RNA) where: Base-Base interactions energy: -1882.440 where: short stacking energy: -771.166 Base-Backbone interact. energy: -1.095 local terms energy: -761.996880 where: bonds (distance) C4'-P energy: -127.399 bonds (distance) P-C4' energy: -144.623 flat angles C4'-P-C4' energy: -170.199 flat angles P-C4'-P energy: -120.764 tors. eta vs tors. theta energy: -199.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2545.339213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.339213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.339213 (E_RNA) where: Base-Base interactions energy: -1799.377 where: short stacking energy: -762.928 Base-Backbone interact. energy: -4.167 local terms energy: -741.795758 where: bonds (distance) C4'-P energy: -133.708 bonds (distance) P-C4' energy: -148.495 flat angles C4'-P-C4' energy: -156.079 flat angles P-C4'-P energy: -110.461 tors. eta vs tors. theta energy: -193.054 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: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2361.356078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.356078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.356078 (E_RNA) where: Base-Base interactions energy: -1653.110 where: short stacking energy: -716.255 Base-Backbone interact. energy: -2.124 local terms energy: -706.122748 where: bonds (distance) C4'-P energy: -141.198 bonds (distance) P-C4' energy: -118.909 flat angles C4'-P-C4' energy: -167.283 flat angles P-C4'-P energy: -95.006 tors. eta vs tors. theta energy: -183.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1985.644607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.644607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.644607 (E_RNA) where: Base-Base interactions energy: -1371.048 where: short stacking energy: -584.330 Base-Backbone interact. energy: -0.042 local terms energy: -614.554696 where: bonds (distance) C4'-P energy: -124.406 bonds (distance) P-C4' energy: -128.688 flat angles C4'-P-C4' energy: -155.921 flat angles P-C4'-P energy: -90.168 tors. eta vs tors. theta energy: -115.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1832.458220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.458220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.458220 (E_RNA) where: Base-Base interactions energy: -1213.956 where: short stacking energy: -530.291 Base-Backbone interact. energy: -1.166 local terms energy: -617.336607 where: bonds (distance) C4'-P energy: -129.709 bonds (distance) P-C4' energy: -122.789 flat angles C4'-P-C4' energy: -142.315 flat angles P-C4'-P energy: -99.170 tors. eta vs tors. theta energy: -123.354 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: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1319.035835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.035835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.035835 (E_RNA) where: Base-Base interactions energy: -838.362 where: short stacking energy: -386.596 Base-Backbone interact. energy: 4.162 local terms energy: -484.836047 where: bonds (distance) C4'-P energy: -122.154 bonds (distance) P-C4' energy: -120.984 flat angles C4'-P-C4' energy: -124.355 flat angles P-C4'-P energy: -75.146 tors. eta vs tors. theta energy: -42.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3128.781570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.781570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.781570 (E_RNA) where: Base-Base interactions energy: -2229.371 where: short stacking energy: -922.299 Base-Backbone interact. energy: -1.767 local terms energy: -897.643316 where: bonds (distance) C4'-P energy: -168.725 bonds (distance) P-C4' energy: -163.882 flat angles C4'-P-C4' energy: -179.294 flat angles P-C4'-P energy: -134.049 tors. eta vs tors. theta energy: -251.692 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: 1 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2979.321677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.321677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.321677 (E_RNA) where: Base-Base interactions energy: -2115.814 where: short stacking energy: -882.873 Base-Backbone interact. energy: -1.609 local terms energy: -861.898783 where: bonds (distance) C4'-P energy: -145.061 bonds (distance) P-C4' energy: -153.512 flat angles C4'-P-C4' energy: -179.205 flat angles P-C4'-P energy: -129.240 tors. eta vs tors. theta energy: -254.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2857.578161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.578161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.578161 (E_RNA) where: Base-Base interactions energy: -2069.731 where: short stacking energy: -831.932 Base-Backbone interact. energy: 4.106 local terms energy: -791.953047 where: bonds (distance) C4'-P energy: -138.267 bonds (distance) P-C4' energy: -142.303 flat angles C4'-P-C4' energy: -188.565 flat angles P-C4'-P energy: -107.367 tors. eta vs tors. theta energy: -215.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2781.534851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.534851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.534851 (E_RNA) where: Base-Base interactions energy: -1992.892 where: short stacking energy: -800.387 Base-Backbone interact. energy: -2.352 local terms energy: -786.290821 where: bonds (distance) C4'-P energy: -136.201 bonds (distance) P-C4' energy: -150.373 flat angles C4'-P-C4' energy: -168.021 flat angles P-C4'-P energy: -114.091 tors. eta vs tors. theta energy: -217.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2661.316552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.316552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.316552 (E_RNA) where: Base-Base interactions energy: -1912.822 where: short stacking energy: -804.335 Base-Backbone interact. energy: 1.372 local terms energy: -749.867061 where: bonds (distance) C4'-P energy: -117.491 bonds (distance) P-C4' energy: -148.794 flat angles C4'-P-C4' energy: -168.317 flat angles P-C4'-P energy: -116.604 tors. eta vs tors. theta energy: -198.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2540.197473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.197473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.197473 (E_RNA) where: Base-Base interactions energy: -1814.406 where: short stacking energy: -775.437 Base-Backbone interact. energy: -4.224 local terms energy: -721.567203 where: bonds (distance) C4'-P energy: -127.615 bonds (distance) P-C4' energy: -139.469 flat angles C4'-P-C4' energy: -159.253 flat angles P-C4'-P energy: -91.166 tors. eta vs tors. theta energy: -204.065 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: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2319.282165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.282165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.282165 (E_RNA) where: Base-Base interactions energy: -1632.550 where: short stacking energy: -691.618 Base-Backbone interact. energy: -1.951 local terms energy: -684.780714 where: bonds (distance) C4'-P energy: -133.762 bonds (distance) P-C4' energy: -118.562 flat angles C4'-P-C4' energy: -146.081 flat angles P-C4'-P energy: -98.343 tors. eta vs tors. theta energy: -188.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -2022.562556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.562556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.562556 (E_RNA) where: Base-Base interactions energy: -1387.735 where: short stacking energy: -563.514 Base-Backbone interact. energy: 0.373 local terms energy: -635.200065 where: bonds (distance) C4'-P energy: -142.107 bonds (distance) P-C4' energy: -117.100 flat angles C4'-P-C4' energy: -145.052 flat angles P-C4'-P energy: -102.894 tors. eta vs tors. theta energy: -128.046 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: 6 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1838.644056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.644056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.644056 (E_RNA) where: Base-Base interactions energy: -1240.986 where: short stacking energy: -533.819 Base-Backbone interact. energy: -5.625 local terms energy: -592.033585 where: bonds (distance) C4'-P energy: -111.624 bonds (distance) P-C4' energy: -136.125 flat angles C4'-P-C4' energy: -146.289 flat angles P-C4'-P energy: -83.262 tors. eta vs tors. theta energy: -114.733 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: 10, replica: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1297.675790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.675790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.675790 (E_RNA) where: Base-Base interactions energy: -797.403 where: short stacking energy: -378.952 Base-Backbone interact. energy: -0.646 local terms energy: -499.626740 where: bonds (distance) C4'-P energy: -130.021 bonds (distance) P-C4' energy: -135.328 flat angles C4'-P-C4' energy: -114.018 flat angles P-C4'-P energy: -72.946 tors. eta vs tors. theta energy: -47.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3122.258048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.258048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.258048 (E_RNA) where: Base-Base interactions energy: -2224.243 where: short stacking energy: -930.473 Base-Backbone interact. energy: -0.261 local terms energy: -897.754686 where: bonds (distance) C4'-P energy: -164.427 bonds (distance) P-C4' energy: -171.019 flat angles C4'-P-C4' energy: -186.879 flat angles P-C4'-P energy: -123.706 tors. eta vs tors. theta energy: -251.724 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: 1 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2988.084747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.084747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.084747 (E_RNA) where: Base-Base interactions energy: -2124.878 where: short stacking energy: -890.588 Base-Backbone interact. energy: 0.299 local terms energy: -863.505250 where: bonds (distance) C4'-P energy: -161.084 bonds (distance) P-C4' energy: -148.994 flat angles C4'-P-C4' energy: -192.586 flat angles P-C4'-P energy: -116.341 tors. eta vs tors. theta energy: -244.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2870.333565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.333565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.333565 (E_RNA) where: Base-Base interactions energy: -2046.642 where: short stacking energy: -846.557 Base-Backbone interact. energy: -3.930 local terms energy: -819.761720 where: bonds (distance) C4'-P energy: -151.481 bonds (distance) P-C4' energy: -149.725 flat angles C4'-P-C4' energy: -182.110 flat angles P-C4'-P energy: -124.876 tors. eta vs tors. theta energy: -211.569 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: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2789.325025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.325025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.325025 (E_RNA) where: Base-Base interactions energy: -1975.178 where: short stacking energy: -808.745 Base-Backbone interact. energy: 1.587 local terms energy: -815.734434 where: bonds (distance) C4'-P energy: -150.059 bonds (distance) P-C4' energy: -154.419 flat angles C4'-P-C4' energy: -173.806 flat angles P-C4'-P energy: -116.454 tors. eta vs tors. theta energy: -220.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2607.364893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.364893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.364893 (E_RNA) where: Base-Base interactions energy: -1862.687 where: short stacking energy: -772.908 Base-Backbone interact. energy: -1.496 local terms energy: -743.181846 where: bonds (distance) C4'-P energy: -145.351 bonds (distance) P-C4' energy: -144.181 flat angles C4'-P-C4' energy: -165.560 flat angles P-C4'-P energy: -92.223 tors. eta vs tors. theta energy: -195.867 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: 6, replica: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2521.252561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.252561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.252561 (E_RNA) where: Base-Base interactions energy: -1778.438 where: short stacking energy: -754.476 Base-Backbone interact. energy: 5.537 local terms energy: -748.350916 where: bonds (distance) C4'-P energy: -136.738 bonds (distance) P-C4' energy: -141.345 flat angles C4'-P-C4' energy: -160.409 flat angles P-C4'-P energy: -109.855 tors. eta vs tors. theta energy: -200.004 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: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2320.933741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.933741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.933741 (E_RNA) where: Base-Base interactions energy: -1668.039 where: short stacking energy: -708.702 Base-Backbone interact. energy: -0.763 local terms energy: -652.132013 where: bonds (distance) C4'-P energy: -119.653 bonds (distance) P-C4' energy: -129.883 flat angles C4'-P-C4' energy: -147.618 flat angles P-C4'-P energy: -83.626 tors. eta vs tors. theta energy: -171.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1998.775503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.775503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.775503 (E_RNA) where: Base-Base interactions energy: -1408.248 where: short stacking energy: -610.792 Base-Backbone interact. energy: 4.832 local terms energy: -595.359568 where: bonds (distance) C4'-P energy: -117.762 bonds (distance) P-C4' energy: -144.990 flat angles C4'-P-C4' energy: -145.513 flat angles P-C4'-P energy: -55.433 tors. eta vs tors. theta energy: -131.662 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: 6 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1825.863104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.863104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.863104 (E_RNA) where: Base-Base interactions energy: -1261.172 where: short stacking energy: -535.742 Base-Backbone interact. energy: 0.675 local terms energy: -565.366024 where: bonds (distance) C4'-P energy: -141.354 bonds (distance) P-C4' energy: -116.293 flat angles C4'-P-C4' energy: -127.232 flat angles P-C4'-P energy: -74.572 tors. eta vs tors. theta energy: -105.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1331.282179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.282179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.282179 (E_RNA) where: Base-Base interactions energy: -841.534 where: short stacking energy: -389.359 Base-Backbone interact. energy: 1.383 local terms energy: -491.131113 where: bonds (distance) C4'-P energy: -106.639 bonds (distance) P-C4' energy: -146.626 flat angles C4'-P-C4' energy: -128.992 flat angles P-C4'-P energy: -72.716 tors. eta vs tors. theta energy: -36.158 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: 7 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3092.220223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.220223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.220223 (E_RNA) where: Base-Base interactions energy: -2206.162 where: short stacking energy: -894.791 Base-Backbone interact. energy: -3.738 local terms energy: -882.320045 where: bonds (distance) C4'-P energy: -163.323 bonds (distance) P-C4' energy: -156.464 flat angles C4'-P-C4' energy: -185.004 flat angles P-C4'-P energy: -130.234 tors. eta vs tors. theta energy: -247.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -3016.813651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.813651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.813651 (E_RNA) where: Base-Base interactions energy: -2154.528 where: short stacking energy: -913.918 Base-Backbone interact. energy: -4.895 local terms energy: -857.390380 where: bonds (distance) C4'-P energy: -159.099 bonds (distance) P-C4' energy: -153.712 flat angles C4'-P-C4' energy: -182.351 flat angles P-C4'-P energy: -112.230 tors. eta vs tors. theta energy: -249.998 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: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2890.007174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.007174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.007174 (E_RNA) where: Base-Base interactions energy: -2080.909 where: short stacking energy: -861.976 Base-Backbone interact. energy: -3.175 local terms energy: -805.923138 where: bonds (distance) C4'-P energy: -141.138 bonds (distance) P-C4' energy: -142.883 flat angles C4'-P-C4' energy: -177.420 flat angles P-C4'-P energy: -115.666 tors. eta vs tors. theta energy: -228.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2747.818250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.818250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.818250 (E_RNA) where: Base-Base interactions energy: -1946.642 where: short stacking energy: -810.400 Base-Backbone interact. energy: -0.830 local terms energy: -800.346528 where: bonds (distance) C4'-P energy: -152.014 bonds (distance) P-C4' energy: -144.736 flat angles C4'-P-C4' energy: -172.261 flat angles P-C4'-P energy: -103.998 tors. eta vs tors. theta energy: -227.337 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: 426 Temperature: 1.100000 Total energy: -2612.452498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.452498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.452498 (E_RNA) where: Base-Base interactions energy: -1845.145 where: short stacking energy: -790.470 Base-Backbone interact. energy: 2.941 local terms energy: -770.249169 where: bonds (distance) C4'-P energy: -157.170 bonds (distance) P-C4' energy: -159.193 flat angles C4'-P-C4' energy: -153.285 flat angles P-C4'-P energy: -101.310 tors. eta vs tors. theta energy: -199.292 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: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2546.705332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.705332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.705332 (E_RNA) where: Base-Base interactions energy: -1821.381 where: short stacking energy: -762.298 Base-Backbone interact. energy: 0.796 local terms energy: -726.120790 where: bonds (distance) C4'-P energy: -153.729 bonds (distance) P-C4' energy: -131.481 flat angles C4'-P-C4' energy: -153.896 flat angles P-C4'-P energy: -91.744 tors. eta vs tors. theta energy: -195.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2288.719077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.719077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.719077 (E_RNA) where: Base-Base interactions energy: -1560.528 where: short stacking energy: -686.425 Base-Backbone interact. energy: -5.958 local terms energy: -722.233540 where: bonds (distance) C4'-P energy: -144.250 bonds (distance) P-C4' energy: -142.375 flat angles C4'-P-C4' energy: -156.723 flat angles P-C4'-P energy: -110.836 tors. eta vs tors. theta energy: -168.050 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: 8, replica: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -2042.427621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.427621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.427621 (E_RNA) where: Base-Base interactions energy: -1396.530 where: short stacking energy: -595.566 Base-Backbone interact. energy: 0.410 local terms energy: -646.306970 where: bonds (distance) C4'-P energy: -141.511 bonds (distance) P-C4' energy: -134.852 flat angles C4'-P-C4' energy: -138.848 flat angles P-C4'-P energy: -98.034 tors. eta vs tors. theta energy: -133.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1872.497980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.497980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.497980 (E_RNA) where: Base-Base interactions energy: -1289.933 where: short stacking energy: -583.682 Base-Backbone interact. energy: -3.128 local terms energy: -579.437517 where: bonds (distance) C4'-P energy: -135.821 bonds (distance) P-C4' energy: -139.017 flat angles C4'-P-C4' energy: -134.035 flat angles P-C4'-P energy: -50.623 tors. eta vs tors. theta energy: -119.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1400.859648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.859648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.859648 (E_RNA) where: Base-Base interactions energy: -922.814 where: short stacking energy: -426.708 Base-Backbone interact. energy: 1.755 local terms energy: -479.800185 where: bonds (distance) C4'-P energy: -126.293 bonds (distance) P-C4' energy: -106.314 flat angles C4'-P-C4' energy: -134.546 flat angles P-C4'-P energy: -69.270 tors. eta vs tors. theta energy: -43.377 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: 7 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3137.183673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.183673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.183673 (E_RNA) where: Base-Base interactions energy: -2279.277 where: short stacking energy: -924.752 Base-Backbone interact. energy: -2.824 local terms energy: -855.082486 where: bonds (distance) C4'-P energy: -152.632 bonds (distance) P-C4' energy: -152.706 flat angles C4'-P-C4' energy: -179.024 flat angles P-C4'-P energy: -125.719 tors. eta vs tors. theta energy: -245.002 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: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -3031.699145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.699145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.699145 (E_RNA) where: Base-Base interactions energy: -2163.549 where: short stacking energy: -936.593 Base-Backbone interact. energy: -3.758 local terms energy: -864.392202 where: bonds (distance) C4'-P energy: -149.677 bonds (distance) P-C4' energy: -162.532 flat angles C4'-P-C4' energy: -183.160 flat angles P-C4'-P energy: -108.820 tors. eta vs tors. theta energy: -260.204 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: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2890.942997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.942997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.942997 (E_RNA) where: Base-Base interactions energy: -2053.777 where: short stacking energy: -842.706 Base-Backbone interact. energy: -4.559 local terms energy: -832.607169 where: bonds (distance) C4'-P energy: -156.205 bonds (distance) P-C4' energy: -158.582 flat angles C4'-P-C4' energy: -177.510 flat angles P-C4'-P energy: -117.033 tors. eta vs tors. theta energy: -223.277 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: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2787.563590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.563590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.563590 (E_RNA) where: Base-Base interactions energy: -2029.539 where: short stacking energy: -821.803 Base-Backbone interact. energy: 1.642 local terms energy: -759.666199 where: bonds (distance) C4'-P energy: -138.942 bonds (distance) P-C4' energy: -134.030 flat angles C4'-P-C4' energy: -162.635 flat angles P-C4'-P energy: -96.277 tors. eta vs tors. theta energy: -227.782 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: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2623.217794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.217794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.217794 (E_RNA) where: Base-Base interactions energy: -1858.211 where: short stacking energy: -804.674 Base-Backbone interact. energy: -0.464 local terms energy: -764.543245 where: bonds (distance) C4'-P energy: -129.475 bonds (distance) P-C4' energy: -146.086 flat angles C4'-P-C4' energy: -174.198 flat angles P-C4'-P energy: -106.059 tors. eta vs tors. theta energy: -208.725 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: 6, replica: 2 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2546.182982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.182982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.182982 (E_RNA) where: Base-Base interactions energy: -1839.350 where: short stacking energy: -769.709 Base-Backbone interact. energy: -1.922 local terms energy: -704.911712 where: bonds (distance) C4'-P energy: -135.312 bonds (distance) P-C4' energy: -135.366 flat angles C4'-P-C4' energy: -152.044 flat angles P-C4'-P energy: -82.598 tors. eta vs tors. theta energy: -199.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2349.927119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.927119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.927119 (E_RNA) where: Base-Base interactions energy: -1660.571 where: short stacking energy: -721.192 Base-Backbone interact. energy: -1.231 local terms energy: -688.125151 where: bonds (distance) C4'-P energy: -130.704 bonds (distance) P-C4' energy: -131.321 flat angles C4'-P-C4' energy: -157.491 flat angles P-C4'-P energy: -82.194 tors. eta vs tors. theta energy: -186.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -2057.303071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.303071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.303071 (E_RNA) where: Base-Base interactions energy: -1419.425 where: short stacking energy: -609.799 Base-Backbone interact. energy: -0.145 local terms energy: -637.732557 where: bonds (distance) C4'-P energy: -134.053 bonds (distance) P-C4' energy: -149.113 flat angles C4'-P-C4' energy: -148.743 flat angles P-C4'-P energy: -81.221 tors. eta vs tors. theta energy: -124.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1829.575860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.575860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.575860 (E_RNA) where: Base-Base interactions energy: -1255.899 where: short stacking energy: -547.295 Base-Backbone interact. energy: 3.798 local terms energy: -577.475219 where: bonds (distance) C4'-P energy: -110.985 bonds (distance) P-C4' energy: -145.366 flat angles C4'-P-C4' energy: -129.116 flat angles P-C4'-P energy: -70.230 tors. eta vs tors. theta energy: -121.778 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: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1326.528116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.528116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.528116 (E_RNA) where: Base-Base interactions energy: -839.406 where: short stacking energy: -382.954 Base-Backbone interact. energy: 0.029 local terms energy: -487.151449 where: bonds (distance) C4'-P energy: -100.466 bonds (distance) P-C4' energy: -124.080 flat angles C4'-P-C4' energy: -133.676 flat angles P-C4'-P energy: -82.181 tors. eta vs tors. theta energy: -46.748 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: 7 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3120.506902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.506902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.506902 (E_RNA) where: Base-Base interactions energy: -2231.038 where: short stacking energy: -928.122 Base-Backbone interact. energy: -2.508 local terms energy: -886.960935 where: bonds (distance) C4'-P energy: -139.402 bonds (distance) P-C4' energy: -167.491 flat angles C4'-P-C4' energy: -190.439 flat angles P-C4'-P energy: -133.761 tors. eta vs tors. theta energy: -255.869 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: 1 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -3023.061807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.061807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.061807 (E_RNA) where: Base-Base interactions energy: -2135.546 where: short stacking energy: -900.856 Base-Backbone interact. energy: -4.161 local terms energy: -883.354478 where: bonds (distance) C4'-P energy: -170.427 bonds (distance) P-C4' energy: -178.107 flat angles C4'-P-C4' energy: -180.187 flat angles P-C4'-P energy: -114.860 tors. eta vs tors. theta energy: -239.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2936.888933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.888933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.888933 (E_RNA) where: Base-Base interactions energy: -2131.238 where: short stacking energy: -883.862 Base-Backbone interact. energy: 4.366 local terms energy: -810.016820 where: bonds (distance) C4'-P energy: -141.613 bonds (distance) P-C4' energy: -145.245 flat angles C4'-P-C4' energy: -179.654 flat angles P-C4'-P energy: -110.031 tors. eta vs tors. theta energy: -233.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2758.420440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.420440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.420440 (E_RNA) where: Base-Base interactions energy: -1985.385 where: short stacking energy: -820.647 Base-Backbone interact. energy: -3.012 local terms energy: -770.023312 where: bonds (distance) C4'-P energy: -133.722 bonds (distance) P-C4' energy: -146.036 flat angles C4'-P-C4' energy: -166.614 flat angles P-C4'-P energy: -94.485 tors. eta vs tors. theta energy: -229.168 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: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2590.913756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.913756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.913756 (E_RNA) where: Base-Base interactions energy: -1825.890 where: short stacking energy: -780.018 Base-Backbone interact. energy: -0.046 local terms energy: -764.977342 where: bonds (distance) C4'-P energy: -141.971 bonds (distance) P-C4' energy: -154.844 flat angles C4'-P-C4' energy: -165.593 flat angles P-C4'-P energy: -111.769 tors. eta vs tors. theta energy: -190.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2579.627032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.627032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.627032 (E_RNA) where: Base-Base interactions energy: -1833.412 where: short stacking energy: -799.586 Base-Backbone interact. energy: -3.821 local terms energy: -742.393738 where: bonds (distance) C4'-P energy: -126.382 bonds (distance) P-C4' energy: -158.202 flat angles C4'-P-C4' energy: -148.286 flat angles P-C4'-P energy: -103.507 tors. eta vs tors. theta energy: -206.017 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: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2352.189778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.189778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.189778 (E_RNA) where: Base-Base interactions energy: -1642.204 where: short stacking energy: -722.687 Base-Backbone interact. energy: -5.332 local terms energy: -704.653855 where: bonds (distance) C4'-P energy: -139.980 bonds (distance) P-C4' energy: -138.720 flat angles C4'-P-C4' energy: -147.167 flat angles P-C4'-P energy: -86.207 tors. eta vs tors. theta energy: -192.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -2028.653617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.653617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.653617 (E_RNA) where: Base-Base interactions energy: -1408.619 where: short stacking energy: -615.780 Base-Backbone interact. energy: -2.878 local terms energy: -617.156747 where: bonds (distance) C4'-P energy: -121.280 bonds (distance) P-C4' energy: -133.985 flat angles C4'-P-C4' energy: -157.518 flat angles P-C4'-P energy: -77.766 tors. eta vs tors. theta energy: -126.608 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: 6 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1795.741148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.741148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.741148 (E_RNA) where: Base-Base interactions energy: -1241.467 where: short stacking energy: -534.495 Base-Backbone interact. energy: 0.951 local terms energy: -555.225191 where: bonds (distance) C4'-P energy: -153.817 bonds (distance) P-C4' energy: -102.153 flat angles C4'-P-C4' energy: -134.626 flat angles P-C4'-P energy: -73.879 tors. eta vs tors. theta energy: -90.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1291.482590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.482590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.482590 (E_RNA) where: Base-Base interactions energy: -812.481 where: short stacking energy: -388.364 Base-Backbone interact. energy: 0.836 local terms energy: -479.837140 where: bonds (distance) C4'-P energy: -128.547 bonds (distance) P-C4' energy: -115.705 flat angles C4'-P-C4' energy: -115.693 flat angles P-C4'-P energy: -63.568 tors. eta vs tors. theta energy: -56.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3113.999971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.999971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.999971 (E_RNA) where: Base-Base interactions energy: -2274.718 where: short stacking energy: -930.903 Base-Backbone interact. energy: -1.171 local terms energy: -838.110849 where: bonds (distance) C4'-P energy: -144.920 bonds (distance) P-C4' energy: -149.492 flat angles C4'-P-C4' energy: -171.598 flat angles P-C4'-P energy: -122.610 tors. eta vs tors. theta energy: -249.492 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: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -3012.576027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.576027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.576027 (E_RNA) where: Base-Base interactions energy: -2131.925 where: short stacking energy: -897.828 Base-Backbone interact. energy: 3.970 local terms energy: -884.621008 where: bonds (distance) C4'-P energy: -167.952 bonds (distance) P-C4' energy: -155.928 flat angles C4'-P-C4' energy: -178.341 flat angles P-C4'-P energy: -132.377 tors. eta vs tors. theta energy: -250.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2851.780870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.780870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.780870 (E_RNA) where: Base-Base interactions energy: -2034.326 where: short stacking energy: -823.390 Base-Backbone interact. energy: -3.150 local terms energy: -814.304715 where: bonds (distance) C4'-P energy: -145.459 bonds (distance) P-C4' energy: -150.878 flat angles C4'-P-C4' energy: -188.387 flat angles P-C4'-P energy: -105.825 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: 4, replica: 5 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2806.682396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.682396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.682396 (E_RNA) where: Base-Base interactions energy: -2031.202 where: short stacking energy: -798.276 Base-Backbone interact. energy: 0.500 local terms energy: -775.980655 where: bonds (distance) C4'-P energy: -141.278 bonds (distance) P-C4' energy: -151.205 flat angles C4'-P-C4' energy: -160.634 flat angles P-C4'-P energy: -107.674 tors. eta vs tors. theta energy: -215.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2592.527282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.527282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.527282 (E_RNA) where: Base-Base interactions energy: -1850.338 where: short stacking energy: -768.963 Base-Backbone interact. energy: 4.139 local terms energy: -746.328836 where: bonds (distance) C4'-P energy: -144.278 bonds (distance) P-C4' energy: -139.382 flat angles C4'-P-C4' energy: -160.259 flat angles P-C4'-P energy: -112.302 tors. eta vs tors. theta energy: -190.108 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: 10 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2582.337689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.337689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.337689 (E_RNA) where: Base-Base interactions energy: -1843.552 where: short stacking energy: -790.146 Base-Backbone interact. energy: -0.447 local terms energy: -738.338627 where: bonds (distance) C4'-P energy: -132.517 bonds (distance) P-C4' energy: -133.058 flat angles C4'-P-C4' energy: -157.087 flat angles P-C4'-P energy: -103.134 tors. eta vs tors. theta energy: -212.542 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: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2308.978048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.978048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.978048 (E_RNA) where: Base-Base interactions energy: -1620.159 where: short stacking energy: -686.370 Base-Backbone interact. energy: 1.764 local terms energy: -690.582478 where: bonds (distance) C4'-P energy: -141.649 bonds (distance) P-C4' energy: -123.654 flat angles C4'-P-C4' energy: -152.704 flat angles P-C4'-P energy: -96.851 tors. eta vs tors. theta energy: -175.724 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: 8, replica: 9 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -2045.956950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.956950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.956950 (E_RNA) where: Base-Base interactions energy: -1417.188 where: short stacking energy: -618.740 Base-Backbone interact. energy: -1.825 local terms energy: -626.943384 where: bonds (distance) C4'-P energy: -128.884 bonds (distance) P-C4' energy: -142.887 flat angles C4'-P-C4' energy: -133.963 flat angles P-C4'-P energy: -76.528 tors. eta vs tors. theta energy: -144.681 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: 6 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1730.323984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.323984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.323984 (E_RNA) where: Base-Base interactions energy: -1161.989 where: short stacking energy: -516.657 Base-Backbone interact. energy: -2.188 local terms energy: -566.147064 where: bonds (distance) C4'-P energy: -116.783 bonds (distance) P-C4' energy: -144.496 flat angles C4'-P-C4' energy: -117.045 flat angles P-C4'-P energy: -89.802 tors. eta vs tors. theta energy: -98.022 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: 429 Temperature: 1.350000 Total energy: -1288.755941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.755941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.755941 (E_RNA) where: Base-Base interactions energy: -805.243 where: short stacking energy: -365.948 Base-Backbone interact. energy: -0.483 local terms energy: -483.029635 where: bonds (distance) C4'-P energy: -123.520 bonds (distance) P-C4' energy: -125.944 flat angles C4'-P-C4' energy: -125.687 flat angles P-C4'-P energy: -61.170 tors. eta vs tors. theta energy: -46.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3107.265079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.265079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.265079 (E_RNA) where: Base-Base interactions energy: -2229.681 where: short stacking energy: -894.663 Base-Backbone interact. energy: 0.153 local terms energy: -877.736830 where: bonds (distance) C4'-P energy: -160.407 bonds (distance) P-C4' energy: -160.839 flat angles C4'-P-C4' energy: -182.487 flat angles P-C4'-P energy: -126.844 tors. eta vs tors. theta energy: -247.160 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: 2, replica: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2999.515046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.515046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.515046 (E_RNA) where: Base-Base interactions energy: -2135.443 where: short stacking energy: -904.203 Base-Backbone interact. energy: -5.436 local terms energy: -858.635315 where: bonds (distance) C4'-P energy: -160.963 bonds (distance) P-C4' energy: -135.900 flat angles C4'-P-C4' energy: -181.786 flat angles P-C4'-P energy: -124.609 tors. eta vs tors. theta energy: -255.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2916.911062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.911062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.911062 (E_RNA) where: Base-Base interactions energy: -2114.978 where: short stacking energy: -848.568 Base-Backbone interact. energy: -2.718 local terms energy: -799.215698 where: bonds (distance) C4'-P energy: -145.769 bonds (distance) P-C4' energy: -145.997 flat angles C4'-P-C4' energy: -175.071 flat angles P-C4'-P energy: -105.573 tors. eta vs tors. theta energy: -226.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2785.813084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.813084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.813084 (E_RNA) where: Base-Base interactions energy: -2006.304 where: short stacking energy: -782.097 Base-Backbone interact. energy: -2.148 local terms energy: -777.360839 where: bonds (distance) C4'-P energy: -144.506 bonds (distance) P-C4' energy: -140.299 flat angles C4'-P-C4' energy: -177.706 flat angles P-C4'-P energy: -106.417 tors. eta vs tors. theta energy: -208.434 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: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2584.564413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.564413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.564413 (E_RNA) where: Base-Base interactions energy: -1843.065 where: short stacking energy: -766.481 Base-Backbone interact. energy: -7.842 local terms energy: -733.657479 where: bonds (distance) C4'-P energy: -147.013 bonds (distance) P-C4' energy: -131.539 flat angles C4'-P-C4' energy: -158.136 flat angles P-C4'-P energy: -103.679 tors. eta vs tors. theta energy: -193.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2519.188857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.188857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.188857 (E_RNA) where: Base-Base interactions energy: -1800.414 where: short stacking energy: -733.738 Base-Backbone interact. energy: 4.274 local terms energy: -723.048397 where: bonds (distance) C4'-P energy: -144.201 bonds (distance) P-C4' energy: -150.086 flat angles C4'-P-C4' energy: -150.098 flat angles P-C4'-P energy: -89.349 tors. eta vs tors. theta energy: -189.314 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: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2303.775632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.775632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.775632 (E_RNA) where: Base-Base interactions energy: -1627.264 where: short stacking energy: -715.674 Base-Backbone interact. energy: -1.961 local terms energy: -674.551166 where: bonds (distance) C4'-P energy: -129.161 bonds (distance) P-C4' energy: -121.862 flat angles C4'-P-C4' energy: -156.223 flat angles P-C4'-P energy: -87.714 tors. eta vs tors. theta energy: -179.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -2061.406834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.406834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.406834 (E_RNA) where: Base-Base interactions energy: -1427.376 where: short stacking energy: -647.457 Base-Backbone interact. energy: -3.163 local terms energy: -630.868627 where: bonds (distance) C4'-P energy: -126.366 bonds (distance) P-C4' energy: -138.658 flat angles C4'-P-C4' energy: -138.913 flat angles P-C4'-P energy: -85.483 tors. eta vs tors. theta energy: -141.449 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: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1838.155032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.155032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.155032 (E_RNA) where: Base-Base interactions energy: -1245.808 where: short stacking energy: -557.791 Base-Backbone interact. energy: -1.458 local terms energy: -590.889247 where: bonds (distance) C4'-P energy: -122.689 bonds (distance) P-C4' energy: -137.770 flat angles C4'-P-C4' energy: -112.355 flat angles P-C4'-P energy: -90.018 tors. eta vs tors. theta energy: -128.057 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: 10, replica: 8 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1177.078598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.078598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.078598 (E_RNA) where: Base-Base interactions energy: -728.186 where: short stacking energy: -358.480 Base-Backbone interact. energy: -0.176 local terms energy: -448.716264 where: bonds (distance) C4'-P energy: -117.082 bonds (distance) P-C4' energy: -134.494 flat angles C4'-P-C4' energy: -120.420 flat angles P-C4'-P energy: -55.087 tors. eta vs tors. theta energy: -21.633 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: 7 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3141.213193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.213193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.213193 (E_RNA) where: Base-Base interactions energy: -2269.188 where: short stacking energy: -935.415 Base-Backbone interact. energy: -3.014 local terms energy: -869.011622 where: bonds (distance) C4'-P energy: -159.244 bonds (distance) P-C4' energy: -164.119 flat angles C4'-P-C4' energy: -171.123 flat angles P-C4'-P energy: -128.241 tors. eta vs tors. theta energy: -246.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -3005.621447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.621447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.621447 (E_RNA) where: Base-Base interactions energy: -2146.174 where: short stacking energy: -918.595 Base-Backbone interact. energy: -2.473 local terms energy: -856.975045 where: bonds (distance) C4'-P energy: -147.633 bonds (distance) P-C4' energy: -154.737 flat angles C4'-P-C4' energy: -176.233 flat angles P-C4'-P energy: -124.302 tors. eta vs tors. theta energy: -254.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2899.791358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.791358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.791358 (E_RNA) where: Base-Base interactions energy: -2086.268 where: short stacking energy: -798.223 Base-Backbone interact. energy: -0.895 local terms energy: -812.628212 where: bonds (distance) C4'-P energy: -136.653 bonds (distance) P-C4' energy: -165.446 flat angles C4'-P-C4' energy: -172.401 flat angles P-C4'-P energy: -106.680 tors. eta vs tors. theta energy: -231.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2803.137643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.137643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.137643 (E_RNA) where: Base-Base interactions energy: -2017.500 where: short stacking energy: -823.070 Base-Backbone interact. energy: -6.376 local terms energy: -779.261710 where: bonds (distance) C4'-P energy: -122.774 bonds (distance) P-C4' energy: -142.957 flat angles C4'-P-C4' energy: -181.553 flat angles P-C4'-P energy: -104.355 tors. eta vs tors. theta energy: -227.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2575.130022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.130022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.130022 (E_RNA) where: Base-Base interactions energy: -1871.759 where: short stacking energy: -765.982 Base-Backbone interact. energy: -0.730 local terms energy: -702.641384 where: bonds (distance) C4'-P energy: -135.433 bonds (distance) P-C4' energy: -128.300 flat angles C4'-P-C4' energy: -153.975 flat angles P-C4'-P energy: -90.762 tors. eta vs tors. theta energy: -194.171 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: 10 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2504.764730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.764730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.764730 (E_RNA) where: Base-Base interactions energy: -1755.517 where: short stacking energy: -755.265 Base-Backbone interact. energy: -5.663 local terms energy: -743.584959 where: bonds (distance) C4'-P energy: -147.539 bonds (distance) P-C4' energy: -144.187 flat angles C4'-P-C4' energy: -150.530 flat angles P-C4'-P energy: -102.612 tors. eta vs tors. theta energy: -198.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2340.902498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.902498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.902498 (E_RNA) where: Base-Base interactions energy: -1650.002 where: short stacking energy: -711.088 Base-Backbone interact. energy: 2.509 local terms energy: -693.409616 where: bonds (distance) C4'-P energy: -134.394 bonds (distance) P-C4' energy: -155.480 flat angles C4'-P-C4' energy: -140.946 flat angles P-C4'-P energy: -84.588 tors. eta vs tors. theta energy: -178.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -2132.195325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.195325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.195325 (E_RNA) where: Base-Base interactions energy: -1488.102 where: short stacking energy: -626.472 Base-Backbone interact. energy: 5.080 local terms energy: -649.173486 where: bonds (distance) C4'-P energy: -135.430 bonds (distance) P-C4' energy: -121.926 flat angles C4'-P-C4' energy: -146.232 flat angles P-C4'-P energy: -106.430 tors. eta vs tors. theta energy: -139.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1864.326321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.326321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.326321 (E_RNA) where: Base-Base interactions energy: -1253.369 where: short stacking energy: -549.788 Base-Backbone interact. energy: 1.209 local terms energy: -612.166754 where: bonds (distance) C4'-P energy: -138.586 bonds (distance) P-C4' energy: -117.529 flat angles C4'-P-C4' energy: -142.883 flat angles P-C4'-P energy: -92.487 tors. eta vs tors. theta energy: -120.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1096.015855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.015855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.015855 (E_RNA) where: Base-Base interactions energy: -645.914 where: short stacking energy: -317.334 Base-Backbone interact. energy: -2.374 local terms energy: -447.728168 where: bonds (distance) C4'-P energy: -113.245 bonds (distance) P-C4' energy: -129.218 flat angles C4'-P-C4' energy: -112.406 flat angles P-C4'-P energy: -76.978 tors. eta vs tors. theta energy: -15.881 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: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3109.148894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.148894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.148894 (E_RNA) where: Base-Base interactions energy: -2230.381 where: short stacking energy: -916.559 Base-Backbone interact. energy: -2.377 local terms energy: -876.391700 where: bonds (distance) C4'-P energy: -141.432 bonds (distance) P-C4' energy: -170.918 flat angles C4'-P-C4' energy: -190.831 flat angles P-C4'-P energy: -134.691 tors. eta vs tors. theta energy: -238.520 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: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -3019.417736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.417736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.417736 (E_RNA) where: Base-Base interactions energy: -2157.101 where: short stacking energy: -913.668 Base-Backbone interact. energy: -5.171 local terms energy: -857.145938 where: bonds (distance) C4'-P energy: -136.595 bonds (distance) P-C4' energy: -159.441 flat angles C4'-P-C4' energy: -185.723 flat angles P-C4'-P energy: -126.867 tors. eta vs tors. theta energy: -248.520 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: 432 Temperature: 1.000000 Total energy: -2910.820063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.820063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.820063 (E_RNA) where: Base-Base interactions energy: -2094.006 where: short stacking energy: -835.945 Base-Backbone interact. energy: -4.290 local terms energy: -812.523591 where: bonds (distance) C4'-P energy: -146.976 bonds (distance) P-C4' energy: -146.246 flat angles C4'-P-C4' energy: -175.933 flat angles P-C4'-P energy: -121.081 tors. eta vs tors. theta energy: -222.288 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: 432 Temperature: 1.050000 Total energy: -2787.030613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.030613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.030613 (E_RNA) where: Base-Base interactions energy: -2008.669 where: short stacking energy: -828.202 Base-Backbone interact. energy: -0.153 local terms energy: -778.208615 where: bonds (distance) C4'-P energy: -155.417 bonds (distance) P-C4' energy: -149.766 flat angles C4'-P-C4' energy: -160.715 flat angles P-C4'-P energy: -102.633 tors. eta vs tors. theta energy: -209.677 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: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2643.918648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.918648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.918648 (E_RNA) where: Base-Base interactions energy: -1862.805 where: short stacking energy: -790.459 Base-Backbone interact. energy: -3.459 local terms energy: -777.653770 where: bonds (distance) C4'-P energy: -151.706 bonds (distance) P-C4' energy: -151.563 flat angles C4'-P-C4' energy: -180.830 flat angles P-C4'-P energy: -86.012 tors. eta vs tors. theta energy: -207.543 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: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2503.621695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.621695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.621695 (E_RNA) where: Base-Base interactions energy: -1782.067 where: short stacking energy: -746.027 Base-Backbone interact. energy: -0.423 local terms energy: -721.131260 where: bonds (distance) C4'-P energy: -131.919 bonds (distance) P-C4' energy: -133.673 flat angles C4'-P-C4' energy: -146.081 flat angles P-C4'-P energy: -117.557 tors. eta vs tors. theta energy: -191.902 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: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2259.254825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.254825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.254825 (E_RNA) where: Base-Base interactions energy: -1546.398 where: short stacking energy: -681.326 Base-Backbone interact. energy: -4.273 local terms energy: -708.583882 where: bonds (distance) C4'-P energy: -144.350 bonds (distance) P-C4' energy: -133.789 flat angles C4'-P-C4' energy: -147.289 flat angles P-C4'-P energy: -109.302 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: 432 Temperature: 1.250000 Total energy: -2084.550777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.550777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.550777 (E_RNA) where: Base-Base interactions energy: -1443.479 where: short stacking energy: -639.123 Base-Backbone interact. energy: 1.615 local terms energy: -642.686324 where: bonds (distance) C4'-P energy: -97.456 bonds (distance) P-C4' energy: -120.613 flat angles C4'-P-C4' energy: -162.516 flat angles P-C4'-P energy: -104.767 tors. eta vs tors. theta energy: -157.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1868.776768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.776768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.776768 (E_RNA) where: Base-Base interactions energy: -1273.594 where: short stacking energy: -559.513 Base-Backbone interact. energy: -3.322 local terms energy: -591.860029 where: bonds (distance) C4'-P energy: -134.905 bonds (distance) P-C4' energy: -127.205 flat angles C4'-P-C4' energy: -132.179 flat angles P-C4'-P energy: -67.868 tors. eta vs tors. theta energy: -129.703 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: 10, replica: 8 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1221.924442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.924442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.924442 (E_RNA) where: Base-Base interactions energy: -757.148 where: short stacking energy: -383.090 Base-Backbone interact. energy: 2.578 local terms energy: -467.354399 where: bonds (distance) C4'-P energy: -121.934 bonds (distance) P-C4' energy: -116.244 flat angles C4'-P-C4' energy: -109.160 flat angles P-C4'-P energy: -69.733 tors. eta vs tors. theta energy: -50.284 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: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3145.500655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.500655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.500655 (E_RNA) where: Base-Base interactions energy: -2271.090 where: short stacking energy: -942.942 Base-Backbone interact. energy: 0.260 local terms energy: -874.671237 where: bonds (distance) C4'-P energy: -157.437 bonds (distance) P-C4' energy: -169.001 flat angles C4'-P-C4' energy: -181.052 flat angles P-C4'-P energy: -119.157 tors. eta vs tors. theta energy: -248.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -3004.439587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.439587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.439587 (E_RNA) where: Base-Base interactions energy: -2146.748 where: short stacking energy: -913.585 Base-Backbone interact. energy: 0.358 local terms energy: -858.049386 where: bonds (distance) C4'-P energy: -154.392 bonds (distance) P-C4' energy: -158.656 flat angles C4'-P-C4' energy: -189.087 flat angles P-C4'-P energy: -114.595 tors. eta vs tors. theta energy: -241.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2910.984309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.984309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.984309 (E_RNA) where: Base-Base interactions energy: -2065.274 where: short stacking energy: -807.010 Base-Backbone interact. energy: -4.083 local terms energy: -841.627749 where: bonds (distance) C4'-P energy: -167.897 bonds (distance) P-C4' energy: -155.918 flat angles C4'-P-C4' energy: -179.046 flat angles P-C4'-P energy: -107.980 tors. eta vs tors. theta energy: -230.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2792.863297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.863297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.863297 (E_RNA) where: Base-Base interactions energy: -1999.740 where: short stacking energy: -833.682 Base-Backbone interact. energy: -5.305 local terms energy: -787.817661 where: bonds (distance) C4'-P energy: -152.529 bonds (distance) P-C4' energy: -152.182 flat angles C4'-P-C4' energy: -171.163 flat angles P-C4'-P energy: -88.700 tors. eta vs tors. theta energy: -223.243 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: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2625.155875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.155875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.155875 (E_RNA) where: Base-Base interactions energy: -1872.645 where: short stacking energy: -788.913 Base-Backbone interact. energy: -0.459 local terms energy: -752.051443 where: bonds (distance) C4'-P energy: -150.743 bonds (distance) P-C4' energy: -143.554 flat angles C4'-P-C4' energy: -163.608 flat angles P-C4'-P energy: -106.809 tors. eta vs tors. theta energy: -187.338 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: 433 Temperature: 1.150000 Total energy: -2454.915752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.915752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.915752 (E_RNA) where: Base-Base interactions energy: -1743.836 where: short stacking energy: -720.400 Base-Backbone interact. energy: -0.084 local terms energy: -710.995381 where: bonds (distance) C4'-P energy: -109.015 bonds (distance) P-C4' energy: -156.479 flat angles C4'-P-C4' energy: -162.423 flat angles P-C4'-P energy: -99.220 tors. eta vs tors. theta energy: -183.858 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: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2313.149775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.149775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.149775 (E_RNA) where: Base-Base interactions energy: -1630.597 where: short stacking energy: -695.558 Base-Backbone interact. energy: -3.837 local terms energy: -678.716662 where: bonds (distance) C4'-P energy: -109.206 bonds (distance) P-C4' energy: -140.319 flat angles C4'-P-C4' energy: -138.627 flat angles P-C4'-P energy: -112.660 tors. eta vs tors. theta energy: -177.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -2107.931652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.931652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.931652 (E_RNA) where: Base-Base interactions energy: -1464.300 where: short stacking energy: -600.820 Base-Backbone interact. energy: 1.966 local terms energy: -645.597625 where: bonds (distance) C4'-P energy: -139.589 bonds (distance) P-C4' energy: -122.321 flat angles C4'-P-C4' energy: -148.975 flat angles P-C4'-P energy: -88.259 tors. eta vs tors. theta energy: -146.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1926.099800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.099800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.099800 (E_RNA) where: Base-Base interactions energy: -1309.534 where: short stacking energy: -577.170 Base-Backbone interact. energy: 1.382 local terms energy: -617.948199 where: bonds (distance) C4'-P energy: -135.304 bonds (distance) P-C4' energy: -135.806 flat angles C4'-P-C4' energy: -144.087 flat angles P-C4'-P energy: -77.111 tors. eta vs tors. theta energy: -125.640 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: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1208.411638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.411638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.411638 (E_RNA) where: Base-Base interactions energy: -751.565 where: short stacking energy: -339.541 Base-Backbone interact. energy: 0.877 local terms energy: -457.722839 where: bonds (distance) C4'-P energy: -126.445 bonds (distance) P-C4' energy: -128.577 flat angles C4'-P-C4' energy: -107.512 flat angles P-C4'-P energy: -69.363 tors. eta vs tors. theta energy: -25.826 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: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3091.134241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.134241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.134241 (E_RNA) where: Base-Base interactions energy: -2197.528 where: short stacking energy: -927.159 Base-Backbone interact. energy: -6.139 local terms energy: -887.467459 where: bonds (distance) C4'-P energy: -171.742 bonds (distance) P-C4' energy: -160.879 flat angles C4'-P-C4' energy: -179.131 flat angles P-C4'-P energy: -128.258 tors. eta vs tors. theta energy: -247.457 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: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -3009.337381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.337381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.337381 (E_RNA) where: Base-Base interactions energy: -2145.241 where: short stacking energy: -912.123 Base-Backbone interact. energy: -2.906 local terms energy: -861.190143 where: bonds (distance) C4'-P energy: -152.280 bonds (distance) P-C4' energy: -158.862 flat angles C4'-P-C4' energy: -177.660 flat angles P-C4'-P energy: -120.165 tors. eta vs tors. theta energy: -252.223 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: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2897.315773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.315773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.315773 (E_RNA) where: Base-Base interactions energy: -2103.721 where: short stacking energy: -832.654 Base-Backbone interact. energy: -5.717 local terms energy: -787.877523 where: bonds (distance) C4'-P energy: -148.525 bonds (distance) P-C4' energy: -140.773 flat angles C4'-P-C4' energy: -167.538 flat angles P-C4'-P energy: -94.700 tors. eta vs tors. theta energy: -236.341 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: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2776.866322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.866322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.866322 (E_RNA) where: Base-Base interactions energy: -2002.997 where: short stacking energy: -812.866 Base-Backbone interact. energy: -4.982 local terms energy: -768.887334 where: bonds (distance) C4'-P energy: -136.597 bonds (distance) P-C4' energy: -140.244 flat angles C4'-P-C4' energy: -174.513 flat angles P-C4'-P energy: -101.378 tors. eta vs tors. theta energy: -216.155 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: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2605.575098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.575098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.575098 (E_RNA) where: Base-Base interactions energy: -1847.979 where: short stacking energy: -763.097 Base-Backbone interact. energy: 5.298 local terms energy: -762.894503 where: bonds (distance) C4'-P energy: -142.522 bonds (distance) P-C4' energy: -136.242 flat angles C4'-P-C4' energy: -168.710 flat angles P-C4'-P energy: -116.026 tors. eta vs tors. theta energy: -199.395 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: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2544.678423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.678423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.678423 (E_RNA) where: Base-Base interactions energy: -1806.987 where: short stacking energy: -752.548 Base-Backbone interact. energy: -1.516 local terms energy: -736.175054 where: bonds (distance) C4'-P energy: -140.826 bonds (distance) P-C4' energy: -137.278 flat angles C4'-P-C4' energy: -156.880 flat angles P-C4'-P energy: -103.158 tors. eta vs tors. theta energy: -198.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2282.090363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.090363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.090363 (E_RNA) where: Base-Base interactions energy: -1588.589 where: short stacking energy: -696.041 Base-Backbone interact. energy: 2.716 local terms energy: -696.217528 where: bonds (distance) C4'-P energy: -116.194 bonds (distance) P-C4' energy: -146.149 flat angles C4'-P-C4' energy: -164.479 flat angles P-C4'-P energy: -95.005 tors. eta vs tors. theta energy: -174.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -2146.132728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.132728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.132728 (E_RNA) where: Base-Base interactions energy: -1490.117 where: short stacking energy: -653.119 Base-Backbone interact. energy: -1.586 local terms energy: -654.429665 where: bonds (distance) C4'-P energy: -117.573 bonds (distance) P-C4' energy: -137.639 flat angles C4'-P-C4' energy: -150.334 flat angles P-C4'-P energy: -101.475 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: 6 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1799.843220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.843220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.843220 (E_RNA) where: Base-Base interactions energy: -1205.289 where: short stacking energy: -573.533 Base-Backbone interact. energy: -1.722 local terms energy: -592.831795 where: bonds (distance) C4'-P energy: -104.225 bonds (distance) P-C4' energy: -152.356 flat angles C4'-P-C4' energy: -146.880 flat angles P-C4'-P energy: -69.817 tors. eta vs tors. theta energy: -119.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1170.029289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.029289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.029289 (E_RNA) where: Base-Base interactions energy: -669.139 where: short stacking energy: -323.364 Base-Backbone interact. energy: -0.102 local terms energy: -500.788526 where: bonds (distance) C4'-P energy: -118.303 bonds (distance) P-C4' energy: -138.842 flat angles C4'-P-C4' energy: -124.334 flat angles P-C4'-P energy: -75.288 tors. eta vs tors. theta energy: -44.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3126.957561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.957561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.957561 (E_RNA) where: Base-Base interactions energy: -2229.696 where: short stacking energy: -900.341 Base-Backbone interact. energy: -3.644 local terms energy: -893.617350 where: bonds (distance) C4'-P energy: -168.863 bonds (distance) P-C4' energy: -173.172 flat angles C4'-P-C4' energy: -177.666 flat angles P-C4'-P energy: -133.189 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: 435 Temperature: 0.950000 Total energy: -2996.457162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.457162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.457162 (E_RNA) where: Base-Base interactions energy: -2134.300 where: short stacking energy: -881.056 Base-Backbone interact. energy: -5.306 local terms energy: -856.850251 where: bonds (distance) C4'-P energy: -152.940 bonds (distance) P-C4' energy: -149.616 flat angles C4'-P-C4' energy: -188.299 flat angles P-C4'-P energy: -122.771 tors. eta vs tors. theta energy: -243.224 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: 435 Temperature: 1.000000 Total energy: -2952.101120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.101120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.101120 (E_RNA) where: Base-Base interactions energy: -2115.677 where: short stacking energy: -861.632 Base-Backbone interact. energy: -6.682 local terms energy: -829.741805 where: bonds (distance) C4'-P energy: -137.757 bonds (distance) P-C4' energy: -162.301 flat angles C4'-P-C4' energy: -182.069 flat angles P-C4'-P energy: -111.553 tors. eta vs tors. theta energy: -236.062 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: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2787.684475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.684475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.684475 (E_RNA) where: Base-Base interactions energy: -2041.653 where: short stacking energy: -829.140 Base-Backbone interact. energy: 2.303 local terms energy: -748.334494 where: bonds (distance) C4'-P energy: -110.284 bonds (distance) P-C4' energy: -150.584 flat angles C4'-P-C4' energy: -182.262 flat angles P-C4'-P energy: -92.503 tors. eta vs tors. theta energy: -212.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2569.792928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.792928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.792928 (E_RNA) where: Base-Base interactions energy: -1803.659 where: short stacking energy: -755.046 Base-Backbone interact. energy: -1.402 local terms energy: -764.732611 where: bonds (distance) C4'-P energy: -136.712 bonds (distance) P-C4' energy: -139.065 flat angles C4'-P-C4' energy: -166.051 flat angles P-C4'-P energy: -116.962 tors. eta vs tors. theta energy: -205.943 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: 435 Temperature: 1.150000 Total energy: -2464.827177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.827177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.827177 (E_RNA) where: Base-Base interactions energy: -1767.722 where: short stacking energy: -751.784 Base-Backbone interact. energy: -0.303 local terms energy: -696.802176 where: bonds (distance) C4'-P energy: -117.633 bonds (distance) P-C4' energy: -132.930 flat angles C4'-P-C4' energy: -153.067 flat angles P-C4'-P energy: -100.811 tors. eta vs tors. theta energy: -192.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2334.642682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.642682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.642682 (E_RNA) where: Base-Base interactions energy: -1656.132 where: short stacking energy: -675.044 Base-Backbone interact. energy: 0.682 local terms energy: -679.192754 where: bonds (distance) C4'-P energy: -117.247 bonds (distance) P-C4' energy: -111.501 flat angles C4'-P-C4' energy: -160.585 flat angles P-C4'-P energy: -116.500 tors. eta vs tors. theta energy: -173.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -2053.990233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.990233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.990233 (E_RNA) where: Base-Base interactions energy: -1381.146 where: short stacking energy: -597.348 Base-Backbone interact. energy: -2.809 local terms energy: -670.035350 where: bonds (distance) C4'-P energy: -136.469 bonds (distance) P-C4' energy: -127.539 flat angles C4'-P-C4' energy: -163.298 flat angles P-C4'-P energy: -102.989 tors. eta vs tors. theta energy: -139.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1770.447577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.447577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.447577 (E_RNA) where: Base-Base interactions energy: -1225.465 where: short stacking energy: -535.630 Base-Backbone interact. energy: -3.604 local terms energy: -541.378706 where: bonds (distance) C4'-P energy: -135.155 bonds (distance) P-C4' energy: -116.634 flat angles C4'-P-C4' energy: -126.152 flat angles P-C4'-P energy: -52.053 tors. eta vs tors. theta energy: -111.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1169.028580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.028580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.028580 (E_RNA) where: Base-Base interactions energy: -670.688 where: short stacking energy: -346.642 Base-Backbone interact. energy: 0.178 local terms energy: -498.518338 where: bonds (distance) C4'-P energy: -100.027 bonds (distance) P-C4' energy: -154.663 flat angles C4'-P-C4' energy: -124.209 flat angles P-C4'-P energy: -79.561 tors. eta vs tors. theta energy: -40.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3145.945431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.945431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.945431 (E_RNA) where: Base-Base interactions energy: -2258.861 where: short stacking energy: -932.759 Base-Backbone interact. energy: -3.039 local terms energy: -884.045569 where: bonds (distance) C4'-P energy: -156.499 bonds (distance) P-C4' energy: -164.338 flat angles C4'-P-C4' energy: -183.470 flat angles P-C4'-P energy: -127.597 tors. eta vs tors. theta energy: -252.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3015.217776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.217776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.217776 (E_RNA) where: Base-Base interactions energy: -2113.006 where: short stacking energy: -888.841 Base-Backbone interact. energy: -5.603 local terms energy: -896.608358 where: bonds (distance) C4'-P energy: -172.049 bonds (distance) P-C4' energy: -171.692 flat angles C4'-P-C4' energy: -182.636 flat angles P-C4'-P energy: -110.304 tors. eta vs tors. theta energy: -259.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2925.666306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.666306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.666306 (E_RNA) where: Base-Base interactions energy: -2121.982 where: short stacking energy: -848.785 Base-Backbone interact. energy: -2.062 local terms energy: -801.622285 where: bonds (distance) C4'-P energy: -142.235 bonds (distance) P-C4' energy: -149.735 flat angles C4'-P-C4' energy: -173.989 flat angles P-C4'-P energy: -104.964 tors. eta vs tors. theta energy: -230.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2815.019158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.019158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.019158 (E_RNA) where: Base-Base interactions energy: -2024.667 where: short stacking energy: -836.667 Base-Backbone interact. energy: 2.249 local terms energy: -792.601428 where: bonds (distance) C4'-P energy: -136.854 bonds (distance) P-C4' energy: -149.946 flat angles C4'-P-C4' energy: -167.578 flat angles P-C4'-P energy: -106.541 tors. eta vs tors. theta energy: -231.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2607.920256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.920256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.920256 (E_RNA) where: Base-Base interactions energy: -1866.585 where: short stacking energy: -762.044 Base-Backbone interact. energy: -3.229 local terms energy: -738.106666 where: bonds (distance) C4'-P energy: -123.594 bonds (distance) P-C4' energy: -145.365 flat angles C4'-P-C4' energy: -174.441 flat angles P-C4'-P energy: -102.979 tors. eta vs tors. theta energy: -191.726 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: 436 Temperature: 1.150000 Total energy: -2513.342420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.342420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.342420 (E_RNA) where: Base-Base interactions energy: -1772.344 where: short stacking energy: -736.727 Base-Backbone interact. energy: -0.832 local terms energy: -740.166432 where: bonds (distance) C4'-P energy: -130.071 bonds (distance) P-C4' energy: -140.360 flat angles C4'-P-C4' energy: -166.075 flat angles P-C4'-P energy: -111.010 tors. eta vs tors. theta energy: -192.651 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: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2387.347558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.347558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.347558 (E_RNA) where: Base-Base interactions energy: -1715.395 where: short stacking energy: -702.767 Base-Backbone interact. energy: -4.884 local terms energy: -667.068966 where: bonds (distance) C4'-P energy: -138.260 bonds (distance) P-C4' energy: -128.696 flat angles C4'-P-C4' energy: -147.234 flat angles P-C4'-P energy: -77.818 tors. eta vs tors. theta energy: -175.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -2042.080740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.080740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.080740 (E_RNA) where: Base-Base interactions energy: -1459.054 where: short stacking energy: -623.980 Base-Backbone interact. energy: 4.060 local terms energy: -587.086302 where: bonds (distance) C4'-P energy: -110.958 bonds (distance) P-C4' energy: -133.439 flat angles C4'-P-C4' energy: -128.808 flat angles P-C4'-P energy: -75.190 tors. eta vs tors. theta energy: -138.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1755.080953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.080953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.080953 (E_RNA) where: Base-Base interactions energy: -1205.818 where: short stacking energy: -533.458 Base-Backbone interact. energy: -2.260 local terms energy: -547.003176 where: bonds (distance) C4'-P energy: -129.266 bonds (distance) P-C4' energy: -118.866 flat angles C4'-P-C4' energy: -125.768 flat angles P-C4'-P energy: -75.710 tors. eta vs tors. theta energy: -97.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1103.700149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.700149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.700149 (E_RNA) where: Base-Base interactions energy: -615.140 where: short stacking energy: -316.889 Base-Backbone interact. energy: 2.392 local terms energy: -490.952514 where: bonds (distance) C4'-P energy: -125.983 bonds (distance) P-C4' energy: -149.067 flat angles C4'-P-C4' energy: -113.817 flat angles P-C4'-P energy: -77.533 tors. eta vs tors. theta energy: -24.552 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: 1, replica: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3120.188974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.188974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.188974 (E_RNA) where: Base-Base interactions energy: -2242.655 where: short stacking energy: -926.863 Base-Backbone interact. energy: -0.482 local terms energy: -877.052300 where: bonds (distance) C4'-P energy: -158.333 bonds (distance) P-C4' energy: -162.085 flat angles C4'-P-C4' energy: -183.119 flat angles P-C4'-P energy: -122.449 tors. eta vs tors. theta energy: -251.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2979.921750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.921750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.921750 (E_RNA) where: Base-Base interactions energy: -2121.637 where: short stacking energy: -881.765 Base-Backbone interact. energy: 0.338 local terms energy: -858.623191 where: bonds (distance) C4'-P energy: -141.319 bonds (distance) P-C4' energy: -163.611 flat angles C4'-P-C4' energy: -178.195 flat angles P-C4'-P energy: -117.219 tors. eta vs tors. theta energy: -258.279 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: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2920.602397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.602397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.602397 (E_RNA) where: Base-Base interactions energy: -2094.842 where: short stacking energy: -837.031 Base-Backbone interact. energy: -5.355 local terms energy: -820.404779 where: bonds (distance) C4'-P energy: -151.762 bonds (distance) P-C4' energy: -159.888 flat angles C4'-P-C4' energy: -167.860 flat angles P-C4'-P energy: -121.341 tors. eta vs tors. theta energy: -219.554 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: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2829.089018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.089018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.089018 (E_RNA) where: Base-Base interactions energy: -2013.471 where: short stacking energy: -809.333 Base-Backbone interact. energy: -5.020 local terms energy: -810.597587 where: bonds (distance) C4'-P energy: -162.685 bonds (distance) P-C4' energy: -139.133 flat angles C4'-P-C4' energy: -182.112 flat angles P-C4'-P energy: -106.229 tors. eta vs tors. theta energy: -220.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2599.996337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.996337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.996337 (E_RNA) where: Base-Base interactions energy: -1826.124 where: short stacking energy: -754.518 Base-Backbone interact. energy: -3.023 local terms energy: -770.849157 where: bonds (distance) C4'-P energy: -139.360 bonds (distance) P-C4' energy: -147.001 flat angles C4'-P-C4' energy: -169.903 flat angles P-C4'-P energy: -115.665 tors. eta vs tors. theta energy: -198.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2488.573879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.573879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.573879 (E_RNA) where: Base-Base interactions energy: -1756.919 where: short stacking energy: -746.259 Base-Backbone interact. energy: -4.522 local terms energy: -727.132939 where: bonds (distance) C4'-P energy: -131.651 bonds (distance) P-C4' energy: -133.306 flat angles C4'-P-C4' energy: -155.129 flat angles P-C4'-P energy: -110.473 tors. eta vs tors. theta energy: -196.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2364.623815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.623815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.623815 (E_RNA) where: Base-Base interactions energy: -1649.174 where: short stacking energy: -713.466 Base-Backbone interact. energy: -4.340 local terms energy: -711.109679 where: bonds (distance) C4'-P energy: -140.701 bonds (distance) P-C4' energy: -131.420 flat angles C4'-P-C4' energy: -154.179 flat angles P-C4'-P energy: -92.389 tors. eta vs tors. theta energy: -192.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -2078.111356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.111356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.111356 (E_RNA) where: Base-Base interactions energy: -1425.033 where: short stacking energy: -630.417 Base-Backbone interact. energy: 0.086 local terms energy: -653.164318 where: bonds (distance) C4'-P energy: -144.247 bonds (distance) P-C4' energy: -133.076 flat angles C4'-P-C4' energy: -135.840 flat angles P-C4'-P energy: -94.265 tors. eta vs tors. theta energy: -145.736 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: 9, replica: 6 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1746.844091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.844091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.844091 (E_RNA) where: Base-Base interactions energy: -1174.763 where: short stacking energy: -511.945 Base-Backbone interact. energy: 1.783 local terms energy: -573.864755 where: bonds (distance) C4'-P energy: -119.421 bonds (distance) P-C4' energy: -135.032 flat angles C4'-P-C4' energy: -145.096 flat angles P-C4'-P energy: -80.575 tors. eta vs tors. theta energy: -93.741 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: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1107.897518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.897518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.897518 (E_RNA) where: Base-Base interactions energy: -648.955 where: short stacking energy: -310.251 Base-Backbone interact. energy: 2.639 local terms energy: -461.581347 where: bonds (distance) C4'-P energy: -126.894 bonds (distance) P-C4' energy: -136.276 flat angles C4'-P-C4' energy: -103.056 flat angles P-C4'-P energy: -86.741 tors. eta vs tors. theta energy: -8.614 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: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3126.350428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.350428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.350428 (E_RNA) where: Base-Base interactions energy: -2269.770 where: short stacking energy: -943.639 Base-Backbone interact. energy: 0.035 local terms energy: -856.615934 where: bonds (distance) C4'-P energy: -153.319 bonds (distance) P-C4' energy: -151.394 flat angles C4'-P-C4' energy: -175.152 flat angles P-C4'-P energy: -123.958 tors. eta vs tors. theta energy: -252.794 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: 2, replica: 1 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -3024.087427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.087427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.087427 (E_RNA) where: Base-Base interactions energy: -2145.460 where: short stacking energy: -902.029 Base-Backbone interact. energy: -1.708 local terms energy: -876.919269 where: bonds (distance) C4'-P energy: -143.074 bonds (distance) P-C4' energy: -148.985 flat angles C4'-P-C4' energy: -178.809 flat angles P-C4'-P energy: -136.164 tors. eta vs tors. theta energy: -269.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2906.822211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.822211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.822211 (E_RNA) where: Base-Base interactions energy: -2110.232 where: short stacking energy: -833.396 Base-Backbone interact. energy: 6.084 local terms energy: -802.674315 where: bonds (distance) C4'-P energy: -126.991 bonds (distance) P-C4' energy: -149.805 flat angles C4'-P-C4' energy: -181.777 flat angles P-C4'-P energy: -120.408 tors. eta vs tors. theta energy: -223.693 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: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2828.268243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.268243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.268243 (E_RNA) where: Base-Base interactions energy: -2038.598 where: short stacking energy: -814.555 Base-Backbone interact. energy: -6.723 local terms energy: -782.947606 where: bonds (distance) C4'-P energy: -132.531 bonds (distance) P-C4' energy: -150.651 flat angles C4'-P-C4' energy: -180.659 flat angles P-C4'-P energy: -97.414 tors. eta vs tors. theta energy: -221.693 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: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2621.998193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.998193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.998193 (E_RNA) where: Base-Base interactions energy: -1862.861 where: short stacking energy: -793.145 Base-Backbone interact. energy: -3.101 local terms energy: -756.036345 where: bonds (distance) C4'-P energy: -129.680 bonds (distance) P-C4' energy: -155.030 flat angles C4'-P-C4' energy: -157.022 flat angles P-C4'-P energy: -110.886 tors. eta vs tors. theta energy: -203.418 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: 438 Temperature: 1.150000 Total energy: -2460.399523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.399523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.399523 (E_RNA) where: Base-Base interactions energy: -1735.614 where: short stacking energy: -723.631 Base-Backbone interact. energy: -4.795 local terms energy: -719.990069 where: bonds (distance) C4'-P energy: -138.283 bonds (distance) P-C4' energy: -136.088 flat angles C4'-P-C4' energy: -161.907 flat angles P-C4'-P energy: -92.303 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: 7, replica: 4 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2354.945388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.945388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.945388 (E_RNA) where: Base-Base interactions energy: -1649.101 where: short stacking energy: -703.567 Base-Backbone interact. energy: 2.659 local terms energy: -708.503461 where: bonds (distance) C4'-P energy: -141.367 bonds (distance) P-C4' energy: -125.706 flat angles C4'-P-C4' energy: -149.430 flat angles P-C4'-P energy: -95.032 tors. eta vs tors. theta energy: -196.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -2049.953741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.953741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.953741 (E_RNA) where: Base-Base interactions energy: -1380.370 where: short stacking energy: -591.044 Base-Backbone interact. energy: -0.147 local terms energy: -669.436013 where: bonds (distance) C4'-P energy: -137.866 bonds (distance) P-C4' energy: -153.054 flat angles C4'-P-C4' energy: -155.494 flat angles P-C4'-P energy: -84.217 tors. eta vs tors. theta energy: -138.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1732.259823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.259823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.259823 (E_RNA) where: Base-Base interactions energy: -1174.575 where: short stacking energy: -481.398 Base-Backbone interact. energy: 7.523 local terms energy: -565.208004 where: bonds (distance) C4'-P energy: -127.161 bonds (distance) P-C4' energy: -133.830 flat angles C4'-P-C4' energy: -130.938 flat angles P-C4'-P energy: -78.727 tors. eta vs tors. theta energy: -94.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1124.741574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.741574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.741574 (E_RNA) where: Base-Base interactions energy: -657.974 where: short stacking energy: -316.132 Base-Backbone interact. energy: 0.159 local terms energy: -466.925915 where: bonds (distance) C4'-P energy: -141.911 bonds (distance) P-C4' energy: -125.803 flat angles C4'-P-C4' energy: -126.184 flat angles P-C4'-P energy: -58.963 tors. eta vs tors. theta energy: -14.065 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: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3138.824827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.824827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.824827 (E_RNA) where: Base-Base interactions energy: -2272.552 where: short stacking energy: -924.975 Base-Backbone interact. energy: -3.868 local terms energy: -862.404777 where: bonds (distance) C4'-P energy: -151.145 bonds (distance) P-C4' energy: -168.043 flat angles C4'-P-C4' energy: -176.776 flat angles P-C4'-P energy: -123.657 tors. eta vs tors. theta energy: -242.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -3002.173896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.173896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.173896 (E_RNA) where: Base-Base interactions energy: -2138.732 where: short stacking energy: -899.669 Base-Backbone interact. energy: -3.489 local terms energy: -859.952933 where: bonds (distance) C4'-P energy: -147.837 bonds (distance) P-C4' energy: -155.893 flat angles C4'-P-C4' energy: -179.408 flat angles P-C4'-P energy: -109.021 tors. eta vs tors. theta energy: -267.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2885.810509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.810509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.810509 (E_RNA) where: Base-Base interactions energy: -2096.123 where: short stacking energy: -832.899 Base-Backbone interact. energy: 0.476 local terms energy: -790.163820 where: bonds (distance) C4'-P energy: -148.886 bonds (distance) P-C4' energy: -133.295 flat angles C4'-P-C4' energy: -163.950 flat angles P-C4'-P energy: -118.985 tors. eta vs tors. theta energy: -225.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2826.693925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.693925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.693925 (E_RNA) where: Base-Base interactions energy: -2015.250 where: short stacking energy: -825.777 Base-Backbone interact. energy: -7.179 local terms energy: -804.264719 where: bonds (distance) C4'-P energy: -115.974 bonds (distance) P-C4' energy: -157.469 flat angles C4'-P-C4' energy: -182.185 flat angles P-C4'-P energy: -124.211 tors. eta vs tors. theta energy: -224.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2601.000240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.000240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.000240 (E_RNA) where: Base-Base interactions energy: -1853.452 where: short stacking energy: -741.081 Base-Backbone interact. energy: -3.934 local terms energy: -743.614245 where: bonds (distance) C4'-P energy: -148.407 bonds (distance) P-C4' energy: -146.363 flat angles C4'-P-C4' energy: -161.818 flat angles P-C4'-P energy: -104.635 tors. eta vs tors. theta energy: -182.392 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: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2512.528217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.528217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.528217 (E_RNA) where: Base-Base interactions energy: -1773.837 where: short stacking energy: -761.565 Base-Backbone interact. energy: -4.798 local terms energy: -733.893176 where: bonds (distance) C4'-P energy: -128.067 bonds (distance) P-C4' energy: -141.747 flat angles C4'-P-C4' energy: -167.291 flat angles P-C4'-P energy: -101.521 tors. eta vs tors. theta energy: -195.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2385.533678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.533678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.533678 (E_RNA) where: Base-Base interactions energy: -1666.922 where: short stacking energy: -733.918 Base-Backbone interact. energy: -4.370 local terms energy: -714.241411 where: bonds (distance) C4'-P energy: -109.231 bonds (distance) P-C4' energy: -143.098 flat angles C4'-P-C4' energy: -166.277 flat angles P-C4'-P energy: -109.114 tors. eta vs tors. theta energy: -186.521 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: 9 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -2119.392288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.392288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.392288 (E_RNA) where: Base-Base interactions energy: -1438.738 where: short stacking energy: -642.141 Base-Backbone interact. energy: -1.227 local terms energy: -679.427236 where: bonds (distance) C4'-P energy: -136.920 bonds (distance) P-C4' energy: -149.383 flat angles C4'-P-C4' energy: -147.694 flat angles P-C4'-P energy: -97.331 tors. eta vs tors. theta energy: -148.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1746.649250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.649250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.649250 (E_RNA) where: Base-Base interactions energy: -1186.753 where: short stacking energy: -507.058 Base-Backbone interact. energy: -1.678 local terms energy: -558.217728 where: bonds (distance) C4'-P energy: -89.311 bonds (distance) P-C4' energy: -133.546 flat angles C4'-P-C4' energy: -139.364 flat angles P-C4'-P energy: -93.599 tors. eta vs tors. theta energy: -102.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1070.807990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.807990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.807990 (E_RNA) where: Base-Base interactions energy: -637.192 where: short stacking energy: -319.629 Base-Backbone interact. energy: 11.448 local terms energy: -445.064305 where: bonds (distance) C4'-P energy: -99.259 bonds (distance) P-C4' energy: -140.985 flat angles C4'-P-C4' energy: -120.932 flat angles P-C4'-P energy: -64.834 tors. eta vs tors. theta energy: -19.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3149.345825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.345825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.345825 (E_RNA) where: Base-Base interactions energy: -2265.113 where: short stacking energy: -935.517 Base-Backbone interact. energy: 1.980 local terms energy: -886.213165 where: bonds (distance) C4'-P energy: -168.199 bonds (distance) P-C4' energy: -152.242 flat angles C4'-P-C4' energy: -178.811 flat angles P-C4'-P energy: -126.542 tors. eta vs tors. theta energy: -260.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -3002.753471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.753471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.753471 (E_RNA) where: Base-Base interactions energy: -2142.302 where: short stacking energy: -911.802 Base-Backbone interact. energy: -2.163 local terms energy: -858.288153 where: bonds (distance) C4'-P energy: -148.350 bonds (distance) P-C4' energy: -143.883 flat angles C4'-P-C4' energy: -184.268 flat angles P-C4'-P energy: -118.888 tors. eta vs tors. theta energy: -262.899 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: 5 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2871.868130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.868130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.868130 (E_RNA) where: Base-Base interactions energy: -2070.634 where: short stacking energy: -851.764 Base-Backbone interact. energy: 1.315 local terms energy: -802.548979 where: bonds (distance) C4'-P energy: -144.968 bonds (distance) P-C4' energy: -151.573 flat angles C4'-P-C4' energy: -168.476 flat angles P-C4'-P energy: -107.880 tors. eta vs tors. theta energy: -229.652 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: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2865.897969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.897969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.897969 (E_RNA) where: Base-Base interactions energy: -2051.507 where: short stacking energy: -852.409 Base-Backbone interact. energy: -10.550 local terms energy: -803.840283 where: bonds (distance) C4'-P energy: -140.177 bonds (distance) P-C4' energy: -150.893 flat angles C4'-P-C4' energy: -175.292 flat angles P-C4'-P energy: -117.070 tors. eta vs tors. theta energy: -220.407 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: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2619.743515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.743515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.743515 (E_RNA) where: Base-Base interactions energy: -1897.167 where: short stacking energy: -775.830 Base-Backbone interact. energy: -1.830 local terms energy: -720.746127 where: bonds (distance) C4'-P energy: -121.364 bonds (distance) P-C4' energy: -149.590 flat angles C4'-P-C4' energy: -146.657 flat angles P-C4'-P energy: -99.043 tors. eta vs tors. theta energy: -204.091 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: 10 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2444.806039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.806039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.806039 (E_RNA) where: Base-Base interactions energy: -1718.273 where: short stacking energy: -754.148 Base-Backbone interact. energy: -2.258 local terms energy: -724.274791 where: bonds (distance) C4'-P energy: -131.813 bonds (distance) P-C4' energy: -134.143 flat angles C4'-P-C4' energy: -164.670 flat angles P-C4'-P energy: -107.598 tors. eta vs tors. theta energy: -186.050 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: 7, replica: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2331.580370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.580370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.580370 (E_RNA) where: Base-Base interactions energy: -1668.696 where: short stacking energy: -681.285 Base-Backbone interact. energy: 1.436 local terms energy: -664.320121 where: bonds (distance) C4'-P energy: -123.287 bonds (distance) P-C4' energy: -122.050 flat angles C4'-P-C4' energy: -153.606 flat angles P-C4'-P energy: -90.575 tors. eta vs tors. theta energy: -174.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -2046.799276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.799276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.799276 (E_RNA) where: Base-Base interactions energy: -1430.961 where: short stacking energy: -629.635 Base-Backbone interact. energy: -3.637 local terms energy: -612.200962 where: bonds (distance) C4'-P energy: -119.474 bonds (distance) P-C4' energy: -145.716 flat angles C4'-P-C4' energy: -121.329 flat angles P-C4'-P energy: -81.783 tors. eta vs tors. theta energy: -143.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1710.160437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.160437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.160437 (E_RNA) where: Base-Base interactions energy: -1155.524 where: short stacking energy: -534.258 Base-Backbone interact. energy: -0.586 local terms energy: -554.050158 where: bonds (distance) C4'-P energy: -125.535 bonds (distance) P-C4' energy: -126.873 flat angles C4'-P-C4' energy: -138.300 flat angles P-C4'-P energy: -57.381 tors. eta vs tors. theta energy: -105.961 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: 10, replica: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1071.942088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.942088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.942088 (E_RNA) where: Base-Base interactions energy: -628.718 where: short stacking energy: -314.283 Base-Backbone interact. energy: -2.421 local terms energy: -440.802699 where: bonds (distance) C4'-P energy: -106.691 bonds (distance) P-C4' energy: -130.967 flat angles C4'-P-C4' energy: -115.309 flat angles P-C4'-P energy: -72.618 tors. eta vs tors. theta energy: -15.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3134.501102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.501102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.501102 (E_RNA) where: Base-Base interactions energy: -2269.410 where: short stacking energy: -920.054 Base-Backbone interact. energy: -3.745 local terms energy: -861.346602 where: bonds (distance) C4'-P energy: -153.507 bonds (distance) P-C4' energy: -158.519 flat angles C4'-P-C4' energy: -172.203 flat angles P-C4'-P energy: -119.389 tors. eta vs tors. theta energy: -257.729 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: 2, replica: 1 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2973.798172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.798172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.798172 (E_RNA) where: Base-Base interactions energy: -2123.156 where: short stacking energy: -900.286 Base-Backbone interact. energy: -1.767 local terms energy: -848.875687 where: bonds (distance) C4'-P energy: -161.357 bonds (distance) P-C4' energy: -144.686 flat angles C4'-P-C4' energy: -177.277 flat angles P-C4'-P energy: -115.920 tors. eta vs tors. theta energy: -249.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2884.757235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.757235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.757235 (E_RNA) where: Base-Base interactions energy: -2095.792 where: short stacking energy: -834.703 Base-Backbone interact. energy: -2.852 local terms energy: -786.113526 where: bonds (distance) C4'-P energy: -141.786 bonds (distance) P-C4' energy: -142.152 flat angles C4'-P-C4' energy: -153.800 flat angles P-C4'-P energy: -114.622 tors. eta vs tors. theta energy: -233.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2834.283794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.283794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.283794 (E_RNA) where: Base-Base interactions energy: -2024.896 where: short stacking energy: -835.757 Base-Backbone interact. energy: -8.599 local terms energy: -800.788224 where: bonds (distance) C4'-P energy: -149.551 bonds (distance) P-C4' energy: -145.976 flat angles C4'-P-C4' energy: -169.436 flat angles P-C4'-P energy: -112.963 tors. eta vs tors. theta energy: -222.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2649.661604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.661604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.661604 (E_RNA) where: Base-Base interactions energy: -1881.179 where: short stacking energy: -776.645 Base-Backbone interact. energy: -2.170 local terms energy: -766.312124 where: bonds (distance) C4'-P energy: -149.247 bonds (distance) P-C4' energy: -137.553 flat angles C4'-P-C4' energy: -162.241 flat angles P-C4'-P energy: -100.395 tors. eta vs tors. theta energy: -216.876 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: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2492.378216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.378216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.378216 (E_RNA) where: Base-Base interactions energy: -1761.945 where: short stacking energy: -756.498 Base-Backbone interact. energy: -1.392 local terms energy: -729.041278 where: bonds (distance) C4'-P energy: -138.969 bonds (distance) P-C4' energy: -128.858 flat angles C4'-P-C4' energy: -159.895 flat angles P-C4'-P energy: -101.432 tors. eta vs tors. theta energy: -199.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2334.298652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.298652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.298652 (E_RNA) where: Base-Base interactions energy: -1623.325 where: short stacking energy: -681.735 Base-Backbone interact. energy: -3.897 local terms energy: -707.075860 where: bonds (distance) C4'-P energy: -122.023 bonds (distance) P-C4' energy: -150.111 flat angles C4'-P-C4' energy: -150.678 flat angles P-C4'-P energy: -99.223 tors. eta vs tors. theta energy: -185.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -2051.237395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.237395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.237395 (E_RNA) where: Base-Base interactions energy: -1385.479 where: short stacking energy: -613.309 Base-Backbone interact. energy: -0.041 local terms energy: -665.717544 where: bonds (distance) C4'-P energy: -136.828 bonds (distance) P-C4' energy: -143.170 flat angles C4'-P-C4' energy: -153.378 flat angles P-C4'-P energy: -87.123 tors. eta vs tors. theta energy: -145.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1668.196892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.196892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.196892 (E_RNA) where: Base-Base interactions energy: -1114.677 where: short stacking energy: -490.600 Base-Backbone interact. energy: -4.073 local terms energy: -549.446420 where: bonds (distance) C4'-P energy: -141.083 bonds (distance) P-C4' energy: -111.196 flat angles C4'-P-C4' energy: -141.635 flat angles P-C4'-P energy: -78.515 tors. eta vs tors. theta energy: -77.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1030.369371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.369371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.369371 (E_RNA) where: Base-Base interactions energy: -596.258 where: short stacking energy: -289.108 Base-Backbone interact. energy: 0.972 local terms energy: -435.084178 where: bonds (distance) C4'-P energy: -132.023 bonds (distance) P-C4' energy: -126.219 flat angles C4'-P-C4' energy: -120.254 flat angles P-C4'-P energy: -69.666 tors. eta vs tors. theta energy: 13.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3129.803919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.803919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.803919 (E_RNA) where: Base-Base interactions energy: -2258.077 where: short stacking energy: -916.816 Base-Backbone interact. energy: -4.101 local terms energy: -867.626441 where: bonds (distance) C4'-P energy: -151.019 bonds (distance) P-C4' energy: -157.273 flat angles C4'-P-C4' energy: -191.546 flat angles P-C4'-P energy: -116.147 tors. eta vs tors. theta energy: -251.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2989.871012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.871012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.871012 (E_RNA) where: Base-Base interactions energy: -2102.660 where: short stacking energy: -889.114 Base-Backbone interact. energy: -2.846 local terms energy: -884.364922 where: bonds (distance) C4'-P energy: -157.044 bonds (distance) P-C4' energy: -158.337 flat angles C4'-P-C4' energy: -189.472 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -251.851 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: 5 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2901.825099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.825099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.825099 (E_RNA) where: Base-Base interactions energy: -2081.671 where: short stacking energy: -818.726 Base-Backbone interact. energy: -2.205 local terms energy: -817.949373 where: bonds (distance) C4'-P energy: -152.811 bonds (distance) P-C4' energy: -154.900 flat angles C4'-P-C4' energy: -177.916 flat angles P-C4'-P energy: -110.762 tors. eta vs tors. theta energy: -221.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2869.768508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.768508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.768508 (E_RNA) where: Base-Base interactions energy: -2043.621 where: short stacking energy: -861.568 Base-Backbone interact. energy: -5.731 local terms energy: -820.416181 where: bonds (distance) C4'-P energy: -142.937 bonds (distance) P-C4' energy: -160.441 flat angles C4'-P-C4' energy: -176.507 flat angles P-C4'-P energy: -118.135 tors. eta vs tors. theta energy: -222.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2674.057752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.057752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.057752 (E_RNA) where: Base-Base interactions energy: -1928.486 where: short stacking energy: -809.267 Base-Backbone interact. energy: -3.499 local terms energy: -742.073153 where: bonds (distance) C4'-P energy: -123.089 bonds (distance) P-C4' energy: -153.989 flat angles C4'-P-C4' energy: -173.270 flat angles P-C4'-P energy: -90.113 tors. eta vs tors. theta energy: -201.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2441.661001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.661001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.661001 (E_RNA) where: Base-Base interactions energy: -1721.722 where: short stacking energy: -734.130 Base-Backbone interact. energy: -6.173 local terms energy: -713.765436 where: bonds (distance) C4'-P energy: -130.145 bonds (distance) P-C4' energy: -133.566 flat angles C4'-P-C4' energy: -151.534 flat angles P-C4'-P energy: -99.488 tors. eta vs tors. theta energy: -199.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2369.856763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.856763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.856763 (E_RNA) where: Base-Base interactions energy: -1652.071 where: short stacking energy: -711.613 Base-Backbone interact. energy: -1.471 local terms energy: -716.314868 where: bonds (distance) C4'-P energy: -130.433 bonds (distance) P-C4' energy: -140.299 flat angles C4'-P-C4' energy: -150.624 flat angles P-C4'-P energy: -102.691 tors. eta vs tors. theta energy: -192.268 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: 9 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1997.992173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.992173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.992173 (E_RNA) where: Base-Base interactions energy: -1378.299 where: short stacking energy: -577.585 Base-Backbone interact. energy: 0.474 local terms energy: -620.166994 where: bonds (distance) C4'-P energy: -128.464 bonds (distance) P-C4' energy: -145.300 flat angles C4'-P-C4' energy: -141.394 flat angles P-C4'-P energy: -77.001 tors. eta vs tors. theta energy: -128.008 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: 6 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1703.604402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.604402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.604402 (E_RNA) where: Base-Base interactions energy: -1157.072 where: short stacking energy: -497.559 Base-Backbone interact. energy: -3.846 local terms energy: -542.686379 where: bonds (distance) C4'-P energy: -133.883 bonds (distance) P-C4' energy: -103.558 flat angles C4'-P-C4' energy: -127.000 flat angles P-C4'-P energy: -78.190 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: 10, replica: 8 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1049.779233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.779233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.779233 (E_RNA) where: Base-Base interactions energy: -605.111 where: short stacking energy: -334.236 Base-Backbone interact. energy: 0.855 local terms energy: -445.523758 where: bonds (distance) C4'-P energy: -106.428 bonds (distance) P-C4' energy: -143.937 flat angles C4'-P-C4' energy: -111.865 flat angles P-C4'-P energy: -58.325 tors. eta vs tors. theta energy: -24.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3116.945688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.945688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.945688 (E_RNA) where: Base-Base interactions energy: -2247.572 where: short stacking energy: -929.619 Base-Backbone interact. energy: -2.281 local terms energy: -867.093350 where: bonds (distance) C4'-P energy: -165.859 bonds (distance) P-C4' energy: -149.578 flat angles C4'-P-C4' energy: -186.276 flat angles P-C4'-P energy: -120.335 tors. eta vs tors. theta energy: -245.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2969.632734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.632734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.632734 (E_RNA) where: Base-Base interactions energy: -2120.197 where: short stacking energy: -875.112 Base-Backbone interact. energy: -5.639 local terms energy: -843.796731 where: bonds (distance) C4'-P energy: -139.281 bonds (distance) P-C4' energy: -157.496 flat angles C4'-P-C4' energy: -175.042 flat angles P-C4'-P energy: -120.940 tors. eta vs tors. theta energy: -251.037 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: 5 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2892.676049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.676049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.676049 (E_RNA) where: Base-Base interactions energy: -2076.284 where: short stacking energy: -850.559 Base-Backbone interact. energy: -7.170 local terms energy: -809.221579 where: bonds (distance) C4'-P energy: -150.631 bonds (distance) P-C4' energy: -153.717 flat angles C4'-P-C4' energy: -171.044 flat angles P-C4'-P energy: -110.884 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: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2818.368181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.368181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.368181 (E_RNA) where: Base-Base interactions energy: -2030.980 where: short stacking energy: -822.481 Base-Backbone interact. energy: -3.324 local terms energy: -784.064225 where: bonds (distance) C4'-P energy: -128.642 bonds (distance) P-C4' energy: -147.053 flat angles C4'-P-C4' energy: -175.017 flat angles P-C4'-P energy: -112.140 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: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2646.880599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.880599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.880599 (E_RNA) where: Base-Base interactions energy: -1889.569 where: short stacking energy: -782.148 Base-Backbone interact. energy: -4.496 local terms energy: -752.815907 where: bonds (distance) C4'-P energy: -138.046 bonds (distance) P-C4' energy: -149.432 flat angles C4'-P-C4' energy: -164.119 flat angles P-C4'-P energy: -103.790 tors. eta vs tors. theta energy: -197.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2428.339224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.339224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.339224 (E_RNA) where: Base-Base interactions energy: -1728.143 where: short stacking energy: -741.105 Base-Backbone interact. energy: -1.787 local terms energy: -698.409492 where: bonds (distance) C4'-P energy: -107.732 bonds (distance) P-C4' energy: -147.499 flat angles C4'-P-C4' energy: -137.272 flat angles P-C4'-P energy: -107.280 tors. eta vs tors. theta energy: -198.626 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: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2436.764497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.764497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.764497 (E_RNA) where: Base-Base interactions energy: -1718.749 where: short stacking energy: -725.252 Base-Backbone interact. energy: -2.965 local terms energy: -715.050743 where: bonds (distance) C4'-P energy: -134.410 bonds (distance) P-C4' energy: -140.057 flat angles C4'-P-C4' energy: -147.504 flat angles P-C4'-P energy: -111.030 tors. eta vs tors. theta energy: -182.050 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: 8, replica: 9 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -2108.022184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.022184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.022184 (E_RNA) where: Base-Base interactions energy: -1419.687 where: short stacking energy: -614.820 Base-Backbone interact. energy: -4.260 local terms energy: -684.074883 where: bonds (distance) C4'-P energy: -142.836 bonds (distance) P-C4' energy: -139.262 flat angles C4'-P-C4' energy: -147.153 flat angles P-C4'-P energy: -107.905 tors. eta vs tors. theta energy: -146.919 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: 9, replica: 6 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1641.784350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.784350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.784350 (E_RNA) where: Base-Base interactions energy: -1112.301 where: short stacking energy: -493.308 Base-Backbone interact. energy: 4.197 local terms energy: -533.681078 where: bonds (distance) C4'-P energy: -97.675 bonds (distance) P-C4' energy: -130.473 flat angles C4'-P-C4' energy: -148.691 flat angles P-C4'-P energy: -76.574 tors. eta vs tors. theta energy: -80.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1061.760707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.760707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.760707 (E_RNA) where: Base-Base interactions energy: -634.633 where: short stacking energy: -310.459 Base-Backbone interact. energy: -5.080 local terms energy: -422.048008 where: bonds (distance) C4'-P energy: -109.649 bonds (distance) P-C4' energy: -126.282 flat angles C4'-P-C4' energy: -112.176 flat angles P-C4'-P energy: -48.109 tors. eta vs tors. theta energy: -25.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3100.769158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.769158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.769158 (E_RNA) where: Base-Base interactions energy: -2217.227 where: short stacking energy: -906.939 Base-Backbone interact. energy: 0.444 local terms energy: -883.986476 where: bonds (distance) C4'-P energy: -165.140 bonds (distance) P-C4' energy: -161.745 flat angles C4'-P-C4' energy: -182.072 flat angles P-C4'-P energy: -127.407 tors. eta vs tors. theta energy: -247.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2989.186782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.186782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.186782 (E_RNA) where: Base-Base interactions energy: -2137.369 where: short stacking energy: -880.099 Base-Backbone interact. energy: -1.937 local terms energy: -849.880451 where: bonds (distance) C4'-P energy: -138.599 bonds (distance) P-C4' energy: -160.938 flat angles C4'-P-C4' energy: -176.724 flat angles P-C4'-P energy: -118.879 tors. eta vs tors. theta energy: -254.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2888.980288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.980288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.980288 (E_RNA) where: Base-Base interactions energy: -2060.691 where: short stacking energy: -832.496 Base-Backbone interact. energy: 0.405 local terms energy: -828.693726 where: bonds (distance) C4'-P energy: -154.234 bonds (distance) P-C4' energy: -166.209 flat angles C4'-P-C4' energy: -170.455 flat angles P-C4'-P energy: -114.830 tors. eta vs tors. theta energy: -222.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2792.430942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.430942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.430942 (E_RNA) where: Base-Base interactions energy: -2032.912 where: short stacking energy: -818.957 Base-Backbone interact. energy: -2.417 local terms energy: -757.101391 where: bonds (distance) C4'-P energy: -109.348 bonds (distance) P-C4' energy: -153.873 flat angles C4'-P-C4' energy: -174.445 flat angles P-C4'-P energy: -108.134 tors. eta vs tors. theta energy: -211.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2615.436827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.436827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.436827 (E_RNA) where: Base-Base interactions energy: -1870.068 where: short stacking energy: -800.182 Base-Backbone interact. energy: 2.266 local terms energy: -747.634918 where: bonds (distance) C4'-P energy: -140.916 bonds (distance) P-C4' energy: -134.593 flat angles C4'-P-C4' energy: -168.072 flat angles P-C4'-P energy: -105.356 tors. eta vs tors. theta energy: -198.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2436.624543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.624543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.624543 (E_RNA) where: Base-Base interactions energy: -1688.474 where: short stacking energy: -720.225 Base-Backbone interact. energy: 0.148 local terms energy: -748.298669 where: bonds (distance) C4'-P energy: -133.894 bonds (distance) P-C4' energy: -163.873 flat angles C4'-P-C4' energy: -162.403 flat angles P-C4'-P energy: -91.059 tors. eta vs tors. theta energy: -197.070 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: 7, replica: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2387.805602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.805602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.805602 (E_RNA) where: Base-Base interactions energy: -1718.955 where: short stacking energy: -743.755 Base-Backbone interact. energy: 1.544 local terms energy: -670.395286 where: bonds (distance) C4'-P energy: -120.938 bonds (distance) P-C4' energy: -123.223 flat angles C4'-P-C4' energy: -144.018 flat angles P-C4'-P energy: -97.300 tors. eta vs tors. theta energy: -184.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -2063.887504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.887504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.887504 (E_RNA) where: Base-Base interactions energy: -1395.463 where: short stacking energy: -596.572 Base-Backbone interact. energy: -3.388 local terms energy: -665.036038 where: bonds (distance) C4'-P energy: -137.752 bonds (distance) P-C4' energy: -149.071 flat angles C4'-P-C4' energy: -150.625 flat angles P-C4'-P energy: -92.372 tors. eta vs tors. theta energy: -135.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1748.350424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.350424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.350424 (E_RNA) where: Base-Base interactions energy: -1156.540 where: short stacking energy: -532.105 Base-Backbone interact. energy: 1.216 local terms energy: -593.026356 where: bonds (distance) C4'-P energy: -128.815 bonds (distance) P-C4' energy: -145.106 flat angles C4'-P-C4' energy: -124.631 flat angles P-C4'-P energy: -92.135 tors. eta vs tors. theta energy: -102.339 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: 8 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -981.712836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.712836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.712836 (E_RNA) where: Base-Base interactions energy: -574.960 where: short stacking energy: -312.141 Base-Backbone interact. energy: 2.307 local terms energy: -409.059563 where: bonds (distance) C4'-P energy: -110.264 bonds (distance) P-C4' energy: -136.121 flat angles C4'-P-C4' energy: -92.601 flat angles P-C4'-P energy: -63.789 tors. eta vs tors. theta energy: -6.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3116.091764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.091764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.091764 (E_RNA) where: Base-Base interactions energy: -2229.379 where: short stacking energy: -923.931 Base-Backbone interact. energy: -4.114 local terms energy: -882.598567 where: bonds (distance) C4'-P energy: -155.685 bonds (distance) P-C4' energy: -159.980 flat angles C4'-P-C4' energy: -197.953 flat angles P-C4'-P energy: -120.216 tors. eta vs tors. theta energy: -248.764 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: 445 Temperature: 0.950000 Total energy: -2986.210101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.210101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.210101 (E_RNA) where: Base-Base interactions energy: -2140.458 where: short stacking energy: -913.943 Base-Backbone interact. energy: -5.971 local terms energy: -839.781074 where: bonds (distance) C4'-P energy: -152.748 bonds (distance) P-C4' energy: -154.213 flat angles C4'-P-C4' energy: -171.063 flat angles P-C4'-P energy: -116.101 tors. eta vs tors. theta energy: -245.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2897.310133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.310133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.310133 (E_RNA) where: Base-Base interactions energy: -2078.418 where: short stacking energy: -845.470 Base-Backbone interact. energy: -4.831 local terms energy: -814.060983 where: bonds (distance) C4'-P energy: -153.296 bonds (distance) P-C4' energy: -157.401 flat angles C4'-P-C4' energy: -162.340 flat angles P-C4'-P energy: -107.788 tors. eta vs tors. theta energy: -233.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2795.902044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.902044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.902044 (E_RNA) where: Base-Base interactions energy: -2018.678 where: short stacking energy: -823.013 Base-Backbone interact. energy: -0.880 local terms energy: -776.344126 where: bonds (distance) C4'-P energy: -131.447 bonds (distance) P-C4' energy: -143.055 flat angles C4'-P-C4' energy: -169.976 flat angles P-C4'-P energy: -107.979 tors. eta vs tors. theta energy: -223.888 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: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2677.488389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.488389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.488389 (E_RNA) where: Base-Base interactions energy: -1884.641 where: short stacking energy: -781.035 Base-Backbone interact. energy: -1.123 local terms energy: -791.724694 where: bonds (distance) C4'-P energy: -147.210 bonds (distance) P-C4' energy: -163.409 flat angles C4'-P-C4' energy: -165.509 flat angles P-C4'-P energy: -120.290 tors. eta vs tors. theta energy: -195.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2454.659874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.659874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.659874 (E_RNA) where: Base-Base interactions energy: -1714.339 where: short stacking energy: -740.770 Base-Backbone interact. energy: 4.869 local terms energy: -745.190281 where: bonds (distance) C4'-P energy: -130.842 bonds (distance) P-C4' energy: -144.797 flat angles C4'-P-C4' energy: -161.424 flat angles P-C4'-P energy: -111.034 tors. eta vs tors. theta energy: -197.094 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: 7, replica: 10 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2290.566710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.566710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.566710 (E_RNA) where: Base-Base interactions energy: -1573.143 where: short stacking energy: -680.034 Base-Backbone interact. energy: -2.529 local terms energy: -714.894511 where: bonds (distance) C4'-P energy: -128.446 bonds (distance) P-C4' energy: -146.280 flat angles C4'-P-C4' energy: -160.083 flat angles P-C4'-P energy: -106.019 tors. eta vs tors. theta energy: -174.066 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: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -2133.432143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.432143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.432143 (E_RNA) where: Base-Base interactions energy: -1461.927 where: short stacking energy: -623.290 Base-Backbone interact. energy: 0.059 local terms energy: -671.564254 where: bonds (distance) C4'-P energy: -131.202 bonds (distance) P-C4' energy: -147.619 flat angles C4'-P-C4' energy: -161.475 flat angles P-C4'-P energy: -74.706 tors. eta vs tors. theta energy: -156.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1702.613230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.613230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.613230 (E_RNA) where: Base-Base interactions energy: -1132.987 where: short stacking energy: -484.668 Base-Backbone interact. energy: 1.514 local terms energy: -571.140171 where: bonds (distance) C4'-P energy: -126.622 bonds (distance) P-C4' energy: -131.505 flat angles C4'-P-C4' energy: -129.651 flat angles P-C4'-P energy: -84.260 tors. eta vs tors. theta energy: -99.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -980.290378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.290378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.290378 (E_RNA) where: Base-Base interactions energy: -532.367 where: short stacking energy: -263.334 Base-Backbone interact. energy: -1.955 local terms energy: -445.968400 where: bonds (distance) C4'-P energy: -90.570 bonds (distance) P-C4' energy: -127.005 flat angles C4'-P-C4' energy: -128.867 flat angles P-C4'-P energy: -74.021 tors. eta vs tors. theta energy: -25.505 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: 7 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3101.492852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.492852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.492852 (E_RNA) where: Base-Base interactions energy: -2240.775 where: short stacking energy: -918.787 Base-Backbone interact. energy: -1.421 local terms energy: -859.296706 where: bonds (distance) C4'-P energy: -158.519 bonds (distance) P-C4' energy: -164.835 flat angles C4'-P-C4' energy: -172.712 flat angles P-C4'-P energy: -107.835 tors. eta vs tors. theta energy: -255.395 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: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -3008.231740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.231740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.231740 (E_RNA) where: Base-Base interactions energy: -2175.053 where: short stacking energy: -890.204 Base-Backbone interact. energy: -4.761 local terms energy: -828.418026 where: bonds (distance) C4'-P energy: -132.552 bonds (distance) P-C4' energy: -144.862 flat angles C4'-P-C4' energy: -179.306 flat angles P-C4'-P energy: -122.504 tors. eta vs tors. theta energy: -249.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2863.719605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.719605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.719605 (E_RNA) where: Base-Base interactions energy: -2052.828 where: short stacking energy: -847.485 Base-Backbone interact. energy: -5.281 local terms energy: -805.610277 where: bonds (distance) C4'-P energy: -152.951 bonds (distance) P-C4' energy: -141.468 flat angles C4'-P-C4' energy: -188.497 flat angles P-C4'-P energy: -106.433 tors. eta vs tors. theta energy: -216.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2775.642738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.642738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.642738 (E_RNA) where: Base-Base interactions energy: -1976.656 where: short stacking energy: -790.510 Base-Backbone interact. energy: -3.446 local terms energy: -795.540738 where: bonds (distance) C4'-P energy: -150.171 bonds (distance) P-C4' energy: -154.532 flat angles C4'-P-C4' energy: -157.891 flat angles P-C4'-P energy: -115.108 tors. eta vs tors. theta energy: -217.839 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: 5, replica: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2640.828379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.828379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.828379 (E_RNA) where: Base-Base interactions energy: -1867.943 where: short stacking energy: -766.875 Base-Backbone interact. energy: -2.651 local terms energy: -770.234708 where: bonds (distance) C4'-P energy: -136.694 bonds (distance) P-C4' energy: -143.569 flat angles C4'-P-C4' energy: -171.971 flat angles P-C4'-P energy: -121.693 tors. eta vs tors. theta energy: -196.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2429.116022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.116022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.116022 (E_RNA) where: Base-Base interactions energy: -1712.735 where: short stacking energy: -713.349 Base-Backbone interact. energy: 0.438 local terms energy: -716.819226 where: bonds (distance) C4'-P energy: -139.996 bonds (distance) P-C4' energy: -128.205 flat angles C4'-P-C4' energy: -166.923 flat angles P-C4'-P energy: -88.521 tors. eta vs tors. theta energy: -193.175 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: 10 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2260.943938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.943938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.943938 (E_RNA) where: Base-Base interactions energy: -1582.665 where: short stacking energy: -689.037 Base-Backbone interact. energy: -6.406 local terms energy: -671.872461 where: bonds (distance) C4'-P energy: -130.481 bonds (distance) P-C4' energy: -128.480 flat angles C4'-P-C4' energy: -153.069 flat angles P-C4'-P energy: -102.395 tors. eta vs tors. theta energy: -157.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -2132.159860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.159860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.159860 (E_RNA) where: Base-Base interactions energy: -1481.717 where: short stacking energy: -649.754 Base-Backbone interact. energy: -3.830 local terms energy: -646.613532 where: bonds (distance) C4'-P energy: -128.647 bonds (distance) P-C4' energy: -140.514 flat angles C4'-P-C4' energy: -134.287 flat angles P-C4'-P energy: -88.655 tors. eta vs tors. theta energy: -154.511 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: 6 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1738.275121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.275121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.275121 (E_RNA) where: Base-Base interactions energy: -1154.478 where: short stacking energy: -516.588 Base-Backbone interact. energy: -2.284 local terms energy: -581.512659 where: bonds (distance) C4'-P energy: -109.978 bonds (distance) P-C4' energy: -135.500 flat angles C4'-P-C4' energy: -140.821 flat angles P-C4'-P energy: -89.829 tors. eta vs tors. theta energy: -105.384 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: 8 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -982.524902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.524902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.524902 (E_RNA) where: Base-Base interactions energy: -543.370 where: short stacking energy: -282.093 Base-Backbone interact. energy: -0.411 local terms energy: -438.743738 where: bonds (distance) C4'-P energy: -130.269 bonds (distance) P-C4' energy: -144.766 flat angles C4'-P-C4' energy: -96.827 flat angles P-C4'-P energy: -65.151 tors. eta vs tors. theta energy: -1.730 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: 1, replica: 7 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3103.668322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.668322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.668322 (E_RNA) where: Base-Base interactions energy: -2235.751 where: short stacking energy: -923.321 Base-Backbone interact. energy: -4.206 local terms energy: -863.710911 where: bonds (distance) C4'-P energy: -157.024 bonds (distance) P-C4' energy: -158.069 flat angles C4'-P-C4' energy: -179.865 flat angles P-C4'-P energy: -129.204 tors. eta vs tors. theta energy: -239.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -3000.820167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.820167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.820167 (E_RNA) where: Base-Base interactions energy: -2134.326 where: short stacking energy: -901.364 Base-Backbone interact. energy: 0.542 local terms energy: -867.035961 where: bonds (distance) C4'-P energy: -146.289 bonds (distance) P-C4' energy: -148.651 flat angles C4'-P-C4' energy: -189.659 flat angles P-C4'-P energy: -127.335 tors. eta vs tors. theta energy: -255.102 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: 5 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2860.897032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.897032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.897032 (E_RNA) where: Base-Base interactions energy: -2043.595 where: short stacking energy: -852.069 Base-Backbone interact. energy: -2.345 local terms energy: -814.957619 where: bonds (distance) C4'-P energy: -141.402 bonds (distance) P-C4' energy: -158.576 flat angles C4'-P-C4' energy: -165.855 flat angles P-C4'-P energy: -114.585 tors. eta vs tors. theta energy: -234.540 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: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2770.059667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.059667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.059667 (E_RNA) where: Base-Base interactions energy: -2002.768 where: short stacking energy: -803.708 Base-Backbone interact. energy: 2.032 local terms energy: -769.323973 where: bonds (distance) C4'-P energy: -134.111 bonds (distance) P-C4' energy: -158.898 flat angles C4'-P-C4' energy: -163.918 flat angles P-C4'-P energy: -109.305 tors. eta vs tors. theta energy: -203.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2683.903800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.903800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.903800 (E_RNA) where: Base-Base interactions energy: -1894.533 where: short stacking energy: -792.852 Base-Backbone interact. energy: -3.280 local terms energy: -786.090171 where: bonds (distance) C4'-P energy: -133.708 bonds (distance) P-C4' energy: -167.182 flat angles C4'-P-C4' energy: -177.758 flat angles P-C4'-P energy: -100.840 tors. eta vs tors. theta energy: -206.602 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: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2422.558952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.558952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.558952 (E_RNA) where: Base-Base interactions energy: -1730.915 where: short stacking energy: -741.425 Base-Backbone interact. energy: -4.010 local terms energy: -687.633549 where: bonds (distance) C4'-P energy: -135.873 bonds (distance) P-C4' energy: -123.046 flat angles C4'-P-C4' energy: -135.582 flat angles P-C4'-P energy: -91.803 tors. eta vs tors. theta energy: -201.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2320.014189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.014189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.014189 (E_RNA) where: Base-Base interactions energy: -1602.812 where: short stacking energy: -692.647 Base-Backbone interact. energy: -3.269 local terms energy: -713.933324 where: bonds (distance) C4'-P energy: -123.212 bonds (distance) P-C4' energy: -146.965 flat angles C4'-P-C4' energy: -165.832 flat angles P-C4'-P energy: -103.590 tors. eta vs tors. theta energy: -174.334 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: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -2131.658174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.658174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.658174 (E_RNA) where: Base-Base interactions energy: -1477.248 where: short stacking energy: -641.614 Base-Backbone interact. energy: -3.527 local terms energy: -650.883276 where: bonds (distance) C4'-P energy: -116.534 bonds (distance) P-C4' energy: -146.234 flat angles C4'-P-C4' energy: -143.690 flat angles P-C4'-P energy: -93.875 tors. eta vs tors. theta energy: -150.550 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: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1817.310380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.310380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.310380 (E_RNA) where: Base-Base interactions energy: -1220.757 where: short stacking energy: -528.148 Base-Backbone interact. energy: -2.321 local terms energy: -594.232488 where: bonds (distance) C4'-P energy: -146.873 bonds (distance) P-C4' energy: -123.925 flat angles C4'-P-C4' energy: -139.467 flat angles P-C4'-P energy: -83.040 tors. eta vs tors. theta energy: -100.927 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: 8 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -915.291594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.291594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.291594 (E_RNA) where: Base-Base interactions energy: -537.747 where: short stacking energy: -325.187 Base-Backbone interact. energy: 0.530 local terms energy: -378.074405 where: bonds (distance) C4'-P energy: -118.875 bonds (distance) P-C4' energy: -116.281 flat angles C4'-P-C4' energy: -90.892 flat angles P-C4'-P energy: -50.480 tors. eta vs tors. theta energy: -1.546 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: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3113.712888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.712888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.712888 (E_RNA) where: Base-Base interactions energy: -2243.308 where: short stacking energy: -932.023 Base-Backbone interact. energy: 0.817 local terms energy: -871.221958 where: bonds (distance) C4'-P energy: -160.072 bonds (distance) P-C4' energy: -145.400 flat angles C4'-P-C4' energy: -189.359 flat angles P-C4'-P energy: -132.566 tors. eta vs tors. theta energy: -243.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2995.276892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.276892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.276892 (E_RNA) where: Base-Base interactions energy: -2134.578 where: short stacking energy: -907.383 Base-Backbone interact. energy: 2.988 local terms energy: -863.686826 where: bonds (distance) C4'-P energy: -157.173 bonds (distance) P-C4' energy: -153.825 flat angles C4'-P-C4' energy: -180.022 flat angles P-C4'-P energy: -117.905 tors. eta vs tors. theta energy: -254.762 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: 5 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2868.783630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.783630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.783630 (E_RNA) where: Base-Base interactions energy: -2064.017 where: short stacking energy: -819.938 Base-Backbone interact. energy: -9.100 local terms energy: -795.666600 where: bonds (distance) C4'-P energy: -147.910 bonds (distance) P-C4' energy: -140.455 flat angles C4'-P-C4' energy: -172.654 flat angles P-C4'-P energy: -119.054 tors. eta vs tors. theta energy: -215.593 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: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2823.934956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.934956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.934956 (E_RNA) where: Base-Base interactions energy: -2027.440 where: short stacking energy: -846.689 Base-Backbone interact. energy: -3.903 local terms energy: -792.592071 where: bonds (distance) C4'-P energy: -146.547 bonds (distance) P-C4' energy: -149.906 flat angles C4'-P-C4' energy: -178.821 flat angles P-C4'-P energy: -98.340 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: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2627.886979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.886979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.886979 (E_RNA) where: Base-Base interactions energy: -1877.054 where: short stacking energy: -769.144 Base-Backbone interact. energy: 0.144 local terms energy: -750.977020 where: bonds (distance) C4'-P energy: -148.279 bonds (distance) P-C4' energy: -138.407 flat angles C4'-P-C4' energy: -177.883 flat angles P-C4'-P energy: -103.530 tors. eta vs tors. theta energy: -182.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2465.411377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.411377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.411377 (E_RNA) where: Base-Base interactions energy: -1731.177 where: short stacking energy: -746.918 Base-Backbone interact. energy: -3.827 local terms energy: -730.407412 where: bonds (distance) C4'-P energy: -125.789 bonds (distance) P-C4' energy: -136.426 flat angles C4'-P-C4' energy: -161.083 flat angles P-C4'-P energy: -104.629 tors. eta vs tors. theta energy: -202.480 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: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2248.865640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.865640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.865640 (E_RNA) where: Base-Base interactions energy: -1524.382 where: short stacking energy: -655.051 Base-Backbone interact. energy: -2.141 local terms energy: -722.343350 where: bonds (distance) C4'-P energy: -128.983 bonds (distance) P-C4' energy: -160.707 flat angles C4'-P-C4' energy: -158.904 flat angles P-C4'-P energy: -105.456 tors. eta vs tors. theta energy: -168.293 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: 9 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -2080.599973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.599973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.599973 (E_RNA) where: Base-Base interactions energy: -1464.588 where: short stacking energy: -618.766 Base-Backbone interact. energy: -2.943 local terms energy: -613.069131 where: bonds (distance) C4'-P energy: -114.247 bonds (distance) P-C4' energy: -140.750 flat angles C4'-P-C4' energy: -150.326 flat angles P-C4'-P energy: -72.662 tors. eta vs tors. theta energy: -135.084 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: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1861.742508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.742508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.742508 (E_RNA) where: Base-Base interactions energy: -1272.527 where: short stacking energy: -532.120 Base-Backbone interact. energy: 3.407 local terms energy: -592.622336 where: bonds (distance) C4'-P energy: -137.967 bonds (distance) P-C4' energy: -121.348 flat angles C4'-P-C4' energy: -141.080 flat angles P-C4'-P energy: -87.951 tors. eta vs tors. theta energy: -104.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -968.736663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.736663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.736663 (E_RNA) where: Base-Base interactions energy: -531.314 where: short stacking energy: -296.261 Base-Backbone interact. energy: 0.612 local terms energy: -438.034375 where: bonds (distance) C4'-P energy: -121.116 bonds (distance) P-C4' energy: -142.844 flat angles C4'-P-C4' energy: -112.266 flat angles P-C4'-P energy: -55.091 tors. eta vs tors. theta energy: -6.717 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: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3107.249678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.249678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.249678 (E_RNA) where: Base-Base interactions energy: -2212.288 where: short stacking energy: -915.342 Base-Backbone interact. energy: -0.413 local terms energy: -894.549372 where: bonds (distance) C4'-P energy: -154.893 bonds (distance) P-C4' energy: -165.254 flat angles C4'-P-C4' energy: -183.059 flat angles P-C4'-P energy: -137.905 tors. eta vs tors. theta energy: -253.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2985.746264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.746264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.746264 (E_RNA) where: Base-Base interactions energy: -2132.598 where: short stacking energy: -887.878 Base-Backbone interact. energy: -4.646 local terms energy: -848.502112 where: bonds (distance) C4'-P energy: -147.345 bonds (distance) P-C4' energy: -147.417 flat angles C4'-P-C4' energy: -189.020 flat angles P-C4'-P energy: -118.855 tors. eta vs tors. theta energy: -245.866 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: 3, replica: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2880.898031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.898031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.898031 (E_RNA) where: Base-Base interactions energy: -2069.939 where: short stacking energy: -824.955 Base-Backbone interact. energy: -3.716 local terms energy: -807.242628 where: bonds (distance) C4'-P energy: -134.884 bonds (distance) P-C4' energy: -147.303 flat angles C4'-P-C4' energy: -178.201 flat angles P-C4'-P energy: -113.599 tors. eta vs tors. theta energy: -233.255 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: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2813.155828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.155828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.155828 (E_RNA) where: Base-Base interactions energy: -2027.647 where: short stacking energy: -813.194 Base-Backbone interact. energy: -8.282 local terms energy: -777.227272 where: bonds (distance) C4'-P energy: -137.645 bonds (distance) P-C4' energy: -138.243 flat angles C4'-P-C4' energy: -162.346 flat angles P-C4'-P energy: -121.377 tors. eta vs tors. theta energy: -217.616 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: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2618.749166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.749166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.749166 (E_RNA) where: Base-Base interactions energy: -1888.219 where: short stacking energy: -787.703 Base-Backbone interact. energy: 2.580 local terms energy: -733.109962 where: bonds (distance) C4'-P energy: -135.935 bonds (distance) P-C4' energy: -138.471 flat angles C4'-P-C4' energy: -167.002 flat angles P-C4'-P energy: -111.296 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: 6, replica: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2467.690763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.690763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.690763 (E_RNA) where: Base-Base interactions energy: -1717.673 where: short stacking energy: -765.761 Base-Backbone interact. energy: -2.877 local terms energy: -747.141300 where: bonds (distance) C4'-P energy: -128.858 bonds (distance) P-C4' energy: -132.574 flat angles C4'-P-C4' energy: -161.778 flat angles P-C4'-P energy: -119.738 tors. eta vs tors. theta energy: -204.194 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: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2266.358719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.358719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.358719 (E_RNA) where: Base-Base interactions energy: -1587.155 where: short stacking energy: -700.886 Base-Backbone interact. energy: -0.902 local terms energy: -678.301348 where: bonds (distance) C4'-P energy: -129.608 bonds (distance) P-C4' energy: -135.755 flat angles C4'-P-C4' energy: -148.623 flat angles P-C4'-P energy: -102.656 tors. eta vs tors. theta energy: -161.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -2103.127548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.127548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.127548 (E_RNA) where: Base-Base interactions energy: -1479.997 where: short stacking energy: -648.773 Base-Backbone interact. energy: -1.396 local terms energy: -621.734588 where: bonds (distance) C4'-P energy: -98.655 bonds (distance) P-C4' energy: -125.722 flat angles C4'-P-C4' energy: -148.353 flat angles P-C4'-P energy: -100.666 tors. eta vs tors. theta energy: -148.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1938.197054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.197054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.197054 (E_RNA) where: Base-Base interactions energy: -1323.470 where: short stacking energy: -590.987 Base-Backbone interact. energy: -4.269 local terms energy: -610.458463 where: bonds (distance) C4'-P energy: -108.533 bonds (distance) P-C4' energy: -116.890 flat angles C4'-P-C4' energy: -147.849 flat angles P-C4'-P energy: -92.451 tors. eta vs tors. theta energy: -144.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1022.552327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.552327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.552327 (E_RNA) where: Base-Base interactions energy: -550.177 where: short stacking energy: -303.545 Base-Backbone interact. energy: 2.209 local terms energy: -474.584951 where: bonds (distance) C4'-P energy: -125.630 bonds (distance) P-C4' energy: -138.134 flat angles C4'-P-C4' energy: -133.168 flat angles P-C4'-P energy: -62.264 tors. eta vs tors. theta energy: -15.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3094.048946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.048946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.048946 (E_RNA) where: Base-Base interactions energy: -2228.106 where: short stacking energy: -899.204 Base-Backbone interact. energy: -3.599 local terms energy: -862.343729 where: bonds (distance) C4'-P energy: -153.065 bonds (distance) P-C4' energy: -159.532 flat angles C4'-P-C4' energy: -183.780 flat angles P-C4'-P energy: -119.193 tors. eta vs tors. theta energy: -246.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -3004.367922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.367922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.367922 (E_RNA) where: Base-Base interactions energy: -2112.821 where: short stacking energy: -876.934 Base-Backbone interact. energy: -2.916 local terms energy: -888.631188 where: bonds (distance) C4'-P energy: -174.002 bonds (distance) P-C4' energy: -163.031 flat angles C4'-P-C4' energy: -172.721 flat angles P-C4'-P energy: -122.699 tors. eta vs tors. theta energy: -256.178 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: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2888.790052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.790052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.790052 (E_RNA) where: Base-Base interactions energy: -2060.485 where: short stacking energy: -837.775 Base-Backbone interact. energy: -5.226 local terms energy: -823.079242 where: bonds (distance) C4'-P energy: -146.121 bonds (distance) P-C4' energy: -169.415 flat angles C4'-P-C4' energy: -169.548 flat angles P-C4'-P energy: -121.359 tors. eta vs tors. theta energy: -216.636 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: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2809.077780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.077780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.077780 (E_RNA) where: Base-Base interactions energy: -2022.700 where: short stacking energy: -797.466 Base-Backbone interact. energy: -5.005 local terms energy: -781.372649 where: bonds (distance) C4'-P energy: -131.403 bonds (distance) P-C4' energy: -157.003 flat angles C4'-P-C4' energy: -168.814 flat angles P-C4'-P energy: -109.759 tors. eta vs tors. theta energy: -214.394 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: 5, replica: 2 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2651.016073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.016073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.016073 (E_RNA) where: Base-Base interactions energy: -1881.886 where: short stacking energy: -790.337 Base-Backbone interact. energy: 2.254 local terms energy: -771.384814 where: bonds (distance) C4'-P energy: -120.830 bonds (distance) P-C4' energy: -143.732 flat angles C4'-P-C4' energy: -182.997 flat angles P-C4'-P energy: -118.291 tors. eta vs tors. theta energy: -205.535 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: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2398.149265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.149265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.149265 (E_RNA) where: Base-Base interactions energy: -1689.991 where: short stacking energy: -714.393 Base-Backbone interact. energy: -1.436 local terms energy: -706.722040 where: bonds (distance) C4'-P energy: -123.706 bonds (distance) P-C4' energy: -139.414 flat angles C4'-P-C4' energy: -153.001 flat angles P-C4'-P energy: -103.124 tors. eta vs tors. theta energy: -187.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2260.193048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.193048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.193048 (E_RNA) where: Base-Base interactions energy: -1599.584 where: short stacking energy: -681.506 Base-Backbone interact. energy: -0.148 local terms energy: -660.461083 where: bonds (distance) C4'-P energy: -134.143 bonds (distance) P-C4' energy: -124.933 flat angles C4'-P-C4' energy: -137.552 flat angles P-C4'-P energy: -97.336 tors. eta vs tors. theta energy: -166.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -2099.867350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.867350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.867350 (E_RNA) where: Base-Base interactions energy: -1483.566 where: short stacking energy: -602.878 Base-Backbone interact. energy: 2.963 local terms energy: -619.263935 where: bonds (distance) C4'-P energy: -134.939 bonds (distance) P-C4' energy: -130.358 flat angles C4'-P-C4' energy: -149.513 flat angles P-C4'-P energy: -66.195 tors. eta vs tors. theta energy: -138.258 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: 9, replica: 6 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1959.682901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.682901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.682901 (E_RNA) where: Base-Base interactions energy: -1356.010 where: short stacking energy: -585.353 Base-Backbone interact. energy: -0.142 local terms energy: -603.530355 where: bonds (distance) C4'-P energy: -137.361 bonds (distance) P-C4' energy: -124.423 flat angles C4'-P-C4' energy: -133.504 flat angles P-C4'-P energy: -81.934 tors. eta vs tors. theta energy: -126.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1002.259270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.259270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.259270 (E_RNA) where: Base-Base interactions energy: -592.051 where: short stacking energy: -300.886 Base-Backbone interact. energy: 7.991 local terms energy: -418.198979 where: bonds (distance) C4'-P energy: -116.446 bonds (distance) P-C4' energy: -122.529 flat angles C4'-P-C4' energy: -99.349 flat angles P-C4'-P energy: -62.115 tors. eta vs tors. theta energy: -17.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3170.521254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.521254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.521254 (E_RNA) where: Base-Base interactions energy: -2276.576 where: short stacking energy: -959.259 Base-Backbone interact. energy: -2.266 local terms energy: -891.679418 where: bonds (distance) C4'-P energy: -159.272 bonds (distance) P-C4' energy: -167.524 flat angles C4'-P-C4' energy: -184.973 flat angles P-C4'-P energy: -129.761 tors. eta vs tors. theta energy: -250.149 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: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -3017.664287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.664287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.664287 (E_RNA) where: Base-Base interactions energy: -2159.249 where: short stacking energy: -913.977 Base-Backbone interact. energy: 4.231 local terms energy: -862.645526 where: bonds (distance) C4'-P energy: -143.402 bonds (distance) P-C4' energy: -149.756 flat angles C4'-P-C4' energy: -185.837 flat angles P-C4'-P energy: -123.633 tors. eta vs tors. theta energy: -260.018 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: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2865.138935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.138935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.138935 (E_RNA) where: Base-Base interactions energy: -2064.103 where: short stacking energy: -844.450 Base-Backbone interact. energy: -3.591 local terms energy: -797.444580 where: bonds (distance) C4'-P energy: -146.776 bonds (distance) P-C4' energy: -155.186 flat angles C4'-P-C4' energy: -178.468 flat angles P-C4'-P energy: -94.759 tors. eta vs tors. theta energy: -222.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2787.939865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.939865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.939865 (E_RNA) where: Base-Base interactions energy: -2036.435 where: short stacking energy: -823.875 Base-Backbone interact. energy: -4.103 local terms energy: -747.401971 where: bonds (distance) C4'-P energy: -124.159 bonds (distance) P-C4' energy: -148.130 flat angles C4'-P-C4' energy: -168.136 flat angles P-C4'-P energy: -86.951 tors. eta vs tors. theta energy: -220.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2626.607643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.607643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.607643 (E_RNA) where: Base-Base interactions energy: -1877.032 where: short stacking energy: -760.579 Base-Backbone interact. energy: -1.862 local terms energy: -747.713428 where: bonds (distance) C4'-P energy: -157.930 bonds (distance) P-C4' energy: -148.830 flat angles C4'-P-C4' energy: -152.521 flat angles P-C4'-P energy: -98.290 tors. eta vs tors. theta energy: -190.142 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: 6, replica: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2364.536621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.536621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.536621 (E_RNA) where: Base-Base interactions energy: -1644.271 where: short stacking energy: -700.425 Base-Backbone interact. energy: -4.187 local terms energy: -716.078623 where: bonds (distance) C4'-P energy: -140.225 bonds (distance) P-C4' energy: -143.130 flat angles C4'-P-C4' energy: -158.460 flat angles P-C4'-P energy: -109.286 tors. eta vs tors. theta energy: -164.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2219.733345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.733345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.733345 (E_RNA) where: Base-Base interactions energy: -1535.811 where: short stacking energy: -699.801 Base-Backbone interact. energy: -2.830 local terms energy: -681.092342 where: bonds (distance) C4'-P energy: -141.320 bonds (distance) P-C4' energy: -146.683 flat angles C4'-P-C4' energy: -150.614 flat angles P-C4'-P energy: -79.789 tors. eta vs tors. theta energy: -162.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -2061.519030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.519030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.519030 (E_RNA) where: Base-Base interactions energy: -1425.402 where: short stacking energy: -611.878 Base-Backbone interact. energy: 1.041 local terms energy: -637.158436 where: bonds (distance) C4'-P energy: -127.786 bonds (distance) P-C4' energy: -137.243 flat angles C4'-P-C4' energy: -149.428 flat angles P-C4'-P energy: -82.964 tors. eta vs tors. theta energy: -139.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1948.422046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.422046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.422046 (E_RNA) where: Base-Base interactions energy: -1357.691 where: short stacking energy: -581.139 Base-Backbone interact. energy: -1.407 local terms energy: -589.324448 where: bonds (distance) C4'-P energy: -109.739 bonds (distance) P-C4' energy: -136.751 flat angles C4'-P-C4' energy: -129.263 flat angles P-C4'-P energy: -73.668 tors. eta vs tors. theta energy: -139.904 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: 451 Temperature: 1.350000 Total energy: -1027.136686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.136686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.136686 (E_RNA) where: Base-Base interactions energy: -600.733 where: short stacking energy: -325.441 Base-Backbone interact. energy: -3.430 local terms energy: -422.973540 where: bonds (distance) C4'-P energy: -113.645 bonds (distance) P-C4' energy: -121.948 flat angles C4'-P-C4' energy: -104.206 flat angles P-C4'-P energy: -56.247 tors. eta vs tors. theta energy: -26.927 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: 7 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3160.230808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.230808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.230808 (E_RNA) where: Base-Base interactions energy: -2294.537 where: short stacking energy: -948.949 Base-Backbone interact. energy: -1.813 local terms energy: -863.881198 where: bonds (distance) C4'-P energy: -150.064 bonds (distance) P-C4' energy: -165.025 flat angles C4'-P-C4' energy: -181.077 flat angles P-C4'-P energy: -119.755 tors. eta vs tors. theta energy: -247.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2998.018153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.018153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.018153 (E_RNA) where: Base-Base interactions energy: -2150.545 where: short stacking energy: -886.779 Base-Backbone interact. energy: 1.095 local terms energy: -848.568580 where: bonds (distance) C4'-P energy: -143.086 bonds (distance) P-C4' energy: -141.336 flat angles C4'-P-C4' energy: -178.561 flat angles P-C4'-P energy: -131.626 tors. eta vs tors. theta energy: -253.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2871.076503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.076503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.076503 (E_RNA) where: Base-Base interactions energy: -2057.250 where: short stacking energy: -837.110 Base-Backbone interact. energy: -3.649 local terms energy: -810.177307 where: bonds (distance) C4'-P energy: -146.448 bonds (distance) P-C4' energy: -152.366 flat angles C4'-P-C4' energy: -157.425 flat angles P-C4'-P energy: -124.373 tors. eta vs tors. theta energy: -229.565 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: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2786.674920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.674920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.674920 (E_RNA) where: Base-Base interactions energy: -2013.922 where: short stacking energy: -818.922 Base-Backbone interact. energy: -3.585 local terms energy: -769.167900 where: bonds (distance) C4'-P energy: -131.678 bonds (distance) P-C4' energy: -153.705 flat angles C4'-P-C4' energy: -156.324 flat angles P-C4'-P energy: -107.559 tors. eta vs tors. theta energy: -219.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2659.625604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.625604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.625604 (E_RNA) where: Base-Base interactions energy: -1915.394 where: short stacking energy: -777.761 Base-Backbone interact. energy: -0.685 local terms energy: -743.546465 where: bonds (distance) C4'-P energy: -126.412 bonds (distance) P-C4' energy: -138.812 flat angles C4'-P-C4' energy: -165.276 flat angles P-C4'-P energy: -112.769 tors. eta vs tors. theta energy: -200.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2383.034528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.034528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.034528 (E_RNA) where: Base-Base interactions energy: -1671.844 where: short stacking energy: -700.016 Base-Backbone interact. energy: -3.320 local terms energy: -707.870946 where: bonds (distance) C4'-P energy: -136.069 bonds (distance) P-C4' energy: -133.995 flat angles C4'-P-C4' energy: -161.801 flat angles P-C4'-P energy: -93.962 tors. eta vs tors. theta energy: -182.044 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: 10 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2281.667988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.667988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.667988 (E_RNA) where: Base-Base interactions energy: -1579.018 where: short stacking energy: -700.186 Base-Backbone interact. energy: -2.319 local terms energy: -700.331259 where: bonds (distance) C4'-P energy: -137.396 bonds (distance) P-C4' energy: -134.749 flat angles C4'-P-C4' energy: -165.996 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -160.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -2116.424741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.424741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.424741 (E_RNA) where: Base-Base interactions energy: -1481.071 where: short stacking energy: -618.111 Base-Backbone interact. energy: 0.432 local terms energy: -635.785102 where: bonds (distance) C4'-P energy: -120.757 bonds (distance) P-C4' energy: -120.356 flat angles C4'-P-C4' energy: -146.895 flat angles P-C4'-P energy: -105.615 tors. eta vs tors. theta energy: -142.163 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: 6 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1946.633933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.633933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.633933 (E_RNA) where: Base-Base interactions energy: -1349.178 where: short stacking energy: -572.437 Base-Backbone interact. energy: -1.251 local terms energy: -596.205284 where: bonds (distance) C4'-P energy: -126.092 bonds (distance) P-C4' energy: -106.460 flat angles C4'-P-C4' energy: -154.943 flat angles P-C4'-P energy: -87.889 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: 452 Temperature: 1.350000 Total energy: -1129.040207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.040207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.040207 (E_RNA) where: Base-Base interactions energy: -706.687 where: short stacking energy: -338.972 Base-Backbone interact. energy: 1.373 local terms energy: -423.726171 where: bonds (distance) C4'-P energy: -110.762 bonds (distance) P-C4' energy: -130.439 flat angles C4'-P-C4' energy: -96.966 flat angles P-C4'-P energy: -55.902 tors. eta vs tors. theta energy: -29.658 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: 7 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3145.975874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.975874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.975874 (E_RNA) where: Base-Base interactions energy: -2265.051 where: short stacking energy: -925.437 Base-Backbone interact. energy: -1.579 local terms energy: -879.346329 where: bonds (distance) C4'-P energy: -149.469 bonds (distance) P-C4' energy: -158.464 flat angles C4'-P-C4' energy: -189.130 flat angles P-C4'-P energy: -127.249 tors. eta vs tors. theta energy: -255.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -3026.466635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.466635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.466635 (E_RNA) where: Base-Base interactions energy: -2126.416 where: short stacking energy: -892.872 Base-Backbone interact. energy: -3.038 local terms energy: -897.012618 where: bonds (distance) C4'-P energy: -154.083 bonds (distance) P-C4' energy: -170.217 flat angles C4'-P-C4' energy: -190.914 flat angles P-C4'-P energy: -123.642 tors. eta vs tors. theta energy: -258.156 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: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2874.581022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.581022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.581022 (E_RNA) where: Base-Base interactions energy: -2101.570 where: short stacking energy: -842.041 Base-Backbone interact. energy: -2.535 local terms energy: -770.476231 where: bonds (distance) C4'-P energy: -145.138 bonds (distance) P-C4' energy: -141.611 flat angles C4'-P-C4' energy: -162.482 flat angles P-C4'-P energy: -111.988 tors. eta vs tors. theta energy: -209.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2767.052373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.052373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.052373 (E_RNA) where: Base-Base interactions energy: -1981.607 where: short stacking energy: -787.228 Base-Backbone interact. energy: -5.492 local terms energy: -779.953672 where: bonds (distance) C4'-P energy: -149.986 bonds (distance) P-C4' energy: -143.835 flat angles C4'-P-C4' energy: -163.713 flat angles P-C4'-P energy: -102.034 tors. eta vs tors. theta energy: -220.386 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: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2596.365062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.365062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.365062 (E_RNA) where: Base-Base interactions energy: -1843.602 where: short stacking energy: -786.813 Base-Backbone interact. energy: -2.845 local terms energy: -749.918097 where: bonds (distance) C4'-P energy: -139.288 bonds (distance) P-C4' energy: -140.871 flat angles C4'-P-C4' energy: -173.118 flat angles P-C4'-P energy: -103.565 tors. eta vs tors. theta energy: -193.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2442.228072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.228072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.228072 (E_RNA) where: Base-Base interactions energy: -1721.646 where: short stacking energy: -695.512 Base-Backbone interact. energy: 3.197 local terms energy: -723.778921 where: bonds (distance) C4'-P energy: -132.997 bonds (distance) P-C4' energy: -139.691 flat angles C4'-P-C4' energy: -154.838 flat angles P-C4'-P energy: -105.825 tors. eta vs tors. theta energy: -190.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2309.579797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.579797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.579797 (E_RNA) where: Base-Base interactions energy: -1639.954 where: short stacking energy: -683.041 Base-Backbone interact. energy: -0.414 local terms energy: -669.211764 where: bonds (distance) C4'-P energy: -114.610 bonds (distance) P-C4' energy: -130.212 flat angles C4'-P-C4' energy: -155.044 flat angles P-C4'-P energy: -101.999 tors. eta vs tors. theta energy: -167.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -2192.089217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.089217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.089217 (E_RNA) where: Base-Base interactions energy: -1543.847 where: short stacking energy: -673.432 Base-Backbone interact. energy: 3.044 local terms energy: -651.286089 where: bonds (distance) C4'-P energy: -126.701 bonds (distance) P-C4' energy: -124.422 flat angles C4'-P-C4' energy: -142.217 flat angles P-C4'-P energy: -89.852 tors. eta vs tors. theta energy: -168.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -2030.615010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.615010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.615010 (E_RNA) where: Base-Base interactions energy: -1404.603 where: short stacking energy: -585.855 Base-Backbone interact. energy: 0.364 local terms energy: -626.376224 where: bonds (distance) C4'-P energy: -128.037 bonds (distance) P-C4' energy: -134.905 flat angles C4'-P-C4' energy: -149.306 flat angles P-C4'-P energy: -90.582 tors. eta vs tors. theta energy: -123.547 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: 10, replica: 8 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1145.988582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.988582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.988582 (E_RNA) where: Base-Base interactions energy: -666.101 where: short stacking energy: -309.907 Base-Backbone interact. energy: -2.411 local terms energy: -477.476500 where: bonds (distance) C4'-P energy: -124.829 bonds (distance) P-C4' energy: -138.502 flat angles C4'-P-C4' energy: -113.190 flat angles P-C4'-P energy: -73.036 tors. eta vs tors. theta energy: -27.919 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: 7 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3108.477374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.477374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.477374 (E_RNA) where: Base-Base interactions energy: -2249.300 where: short stacking energy: -936.009 Base-Backbone interact. energy: -3.006 local terms energy: -856.171758 where: bonds (distance) C4'-P energy: -141.464 bonds (distance) P-C4' energy: -160.568 flat angles C4'-P-C4' energy: -187.783 flat angles P-C4'-P energy: -116.413 tors. eta vs tors. theta energy: -249.944 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: 1 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -3016.191012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.191012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.191012 (E_RNA) where: Base-Base interactions energy: -2161.716 where: short stacking energy: -922.050 Base-Backbone interact. energy: 0.876 local terms energy: -855.351489 where: bonds (distance) C4'-P energy: -146.192 bonds (distance) P-C4' energy: -153.572 flat angles C4'-P-C4' energy: -181.687 flat angles P-C4'-P energy: -113.852 tors. eta vs tors. theta energy: -260.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2879.607419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.607419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.607419 (E_RNA) where: Base-Base interactions energy: -2067.835 where: short stacking energy: -814.213 Base-Backbone interact. energy: -5.694 local terms energy: -806.079204 where: bonds (distance) C4'-P energy: -143.558 bonds (distance) P-C4' energy: -147.411 flat angles C4'-P-C4' energy: -173.550 flat angles P-C4'-P energy: -123.351 tors. eta vs tors. theta energy: -218.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2743.527060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.527060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.527060 (E_RNA) where: Base-Base interactions energy: -1969.641 where: short stacking energy: -795.182 Base-Backbone interact. energy: -3.489 local terms energy: -770.397271 where: bonds (distance) C4'-P energy: -146.799 bonds (distance) P-C4' energy: -147.888 flat angles C4'-P-C4' energy: -173.887 flat angles P-C4'-P energy: -99.311 tors. eta vs tors. theta energy: -202.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2638.130174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.130174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.130174 (E_RNA) where: Base-Base interactions energy: -1883.791 where: short stacking energy: -785.014 Base-Backbone interact. energy: -3.831 local terms energy: -750.508175 where: bonds (distance) C4'-P energy: -138.604 bonds (distance) P-C4' energy: -132.216 flat angles C4'-P-C4' energy: -165.320 flat angles P-C4'-P energy: -109.955 tors. eta vs tors. theta energy: -204.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2380.107211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.107211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.107211 (E_RNA) where: Base-Base interactions energy: -1686.959 where: short stacking energy: -703.888 Base-Backbone interact. energy: -2.079 local terms energy: -691.068730 where: bonds (distance) C4'-P energy: -122.169 bonds (distance) P-C4' energy: -121.476 flat angles C4'-P-C4' energy: -164.239 flat angles P-C4'-P energy: -105.482 tors. eta vs tors. theta energy: -177.702 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: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2311.661645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.661645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.661645 (E_RNA) where: Base-Base interactions energy: -1607.667 where: short stacking energy: -709.750 Base-Backbone interact. energy: -2.488 local terms energy: -701.507246 where: bonds (distance) C4'-P energy: -136.348 bonds (distance) P-C4' energy: -130.485 flat angles C4'-P-C4' energy: -159.069 flat angles P-C4'-P energy: -101.129 tors. eta vs tors. theta energy: -174.476 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: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -2093.484734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.484734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.484734 (E_RNA) where: Base-Base interactions energy: -1457.341 where: short stacking energy: -615.773 Base-Backbone interact. energy: -1.723 local terms energy: -634.420072 where: bonds (distance) C4'-P energy: -126.470 bonds (distance) P-C4' energy: -115.097 flat angles C4'-P-C4' energy: -147.923 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -152.191 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: 6 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1998.635338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.635338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.635338 (E_RNA) where: Base-Base interactions energy: -1367.751 where: short stacking energy: -568.385 Base-Backbone interact. energy: 1.637 local terms energy: -632.522048 where: bonds (distance) C4'-P energy: -114.565 bonds (distance) P-C4' energy: -132.191 flat angles C4'-P-C4' energy: -171.248 flat angles P-C4'-P energy: -86.305 tors. eta vs tors. theta energy: -128.214 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: 8 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1217.522771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.522771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.522771 (E_RNA) where: Base-Base interactions energy: -781.875 where: short stacking energy: -353.388 Base-Backbone interact. energy: 0.112 local terms energy: -435.759252 where: bonds (distance) C4'-P energy: -104.003 bonds (distance) P-C4' energy: -114.397 flat angles C4'-P-C4' energy: -123.384 flat angles P-C4'-P energy: -63.456 tors. eta vs tors. theta energy: -30.520 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: 7 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3117.974930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.974930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.974930 (E_RNA) where: Base-Base interactions energy: -2237.710 where: short stacking energy: -923.345 Base-Backbone interact. energy: -1.272 local terms energy: -878.993205 where: bonds (distance) C4'-P energy: -156.895 bonds (distance) P-C4' energy: -154.140 flat angles C4'-P-C4' energy: -187.747 flat angles P-C4'-P energy: -138.601 tors. eta vs tors. theta energy: -241.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -3008.960298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.960298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.960298 (E_RNA) where: Base-Base interactions energy: -2169.892 where: short stacking energy: -914.977 Base-Backbone interact. energy: -3.392 local terms energy: -835.676332 where: bonds (distance) C4'-P energy: -144.424 bonds (distance) P-C4' energy: -153.924 flat angles C4'-P-C4' energy: -170.944 flat angles P-C4'-P energy: -111.210 tors. eta vs tors. theta energy: -255.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2861.416704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.416704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.416704 (E_RNA) where: Base-Base interactions energy: -2067.868 where: short stacking energy: -827.140 Base-Backbone interact. energy: -1.402 local terms energy: -792.146860 where: bonds (distance) C4'-P energy: -147.746 bonds (distance) P-C4' energy: -165.483 flat angles C4'-P-C4' energy: -166.561 flat angles P-C4'-P energy: -99.520 tors. eta vs tors. theta energy: -212.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2800.673971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.673971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.673971 (E_RNA) where: Base-Base interactions energy: -2036.582 where: short stacking energy: -825.002 Base-Backbone interact. energy: -3.770 local terms energy: -760.322341 where: bonds (distance) C4'-P energy: -138.952 bonds (distance) P-C4' energy: -136.547 flat angles C4'-P-C4' energy: -165.165 flat angles P-C4'-P energy: -96.543 tors. eta vs tors. theta energy: -223.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2673.709735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.709735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.709735 (E_RNA) where: Base-Base interactions energy: -1916.765 where: short stacking energy: -789.849 Base-Backbone interact. energy: -2.758 local terms energy: -754.186988 where: bonds (distance) C4'-P energy: -149.184 bonds (distance) P-C4' energy: -144.524 flat angles C4'-P-C4' energy: -167.045 flat angles P-C4'-P energy: -98.792 tors. eta vs tors. theta energy: -194.643 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: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2387.852993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.852993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.852993 (E_RNA) where: Base-Base interactions energy: -1698.731 where: short stacking energy: -723.584 Base-Backbone interact. energy: 1.123 local terms energy: -690.244637 where: bonds (distance) C4'-P energy: -112.380 bonds (distance) P-C4' energy: -137.197 flat angles C4'-P-C4' energy: -147.755 flat angles P-C4'-P energy: -98.911 tors. eta vs tors. theta energy: -194.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2303.590082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.590082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.590082 (E_RNA) where: Base-Base interactions energy: -1643.964 where: short stacking energy: -705.516 Base-Backbone interact. energy: -3.830 local terms energy: -655.796779 where: bonds (distance) C4'-P energy: -114.187 bonds (distance) P-C4' energy: -129.545 flat angles C4'-P-C4' energy: -152.636 flat angles P-C4'-P energy: -85.846 tors. eta vs tors. theta energy: -173.583 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: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -2076.563114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.563114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.563114 (E_RNA) where: Base-Base interactions energy: -1453.746 where: short stacking energy: -622.724 Base-Backbone interact. energy: -3.834 local terms energy: -618.982311 where: bonds (distance) C4'-P energy: -117.071 bonds (distance) P-C4' energy: -136.450 flat angles C4'-P-C4' energy: -137.978 flat angles P-C4'-P energy: -88.004 tors. eta vs tors. theta energy: -139.480 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: 9, replica: 6 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -2005.216338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.216338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.216338 (E_RNA) where: Base-Base interactions energy: -1381.572 where: short stacking energy: -601.114 Base-Backbone interact. energy: -3.838 local terms energy: -619.806240 where: bonds (distance) C4'-P energy: -127.984 bonds (distance) P-C4' energy: -117.123 flat angles C4'-P-C4' energy: -148.508 flat angles P-C4'-P energy: -83.482 tors. eta vs tors. theta energy: -142.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1231.061262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.061262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.061262 (E_RNA) where: Base-Base interactions energy: -785.200 where: short stacking energy: -383.219 Base-Backbone interact. energy: 4.473 local terms energy: -450.334221 where: bonds (distance) C4'-P energy: -113.057 bonds (distance) P-C4' energy: -133.602 flat angles C4'-P-C4' energy: -100.363 flat angles P-C4'-P energy: -65.520 tors. eta vs tors. theta energy: -37.793 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: 7 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3106.555719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.555719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.555719 (E_RNA) where: Base-Base interactions energy: -2227.168 where: short stacking energy: -918.301 Base-Backbone interact. energy: -3.591 local terms energy: -875.797182 where: bonds (distance) C4'-P energy: -154.187 bonds (distance) P-C4' energy: -169.694 flat angles C4'-P-C4' energy: -185.501 flat angles P-C4'-P energy: -134.143 tors. eta vs tors. theta energy: -232.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2993.910346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.910346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.910346 (E_RNA) where: Base-Base interactions energy: -2156.981 where: short stacking energy: -906.106 Base-Backbone interact. energy: -2.094 local terms energy: -834.834941 where: bonds (distance) C4'-P energy: -141.253 bonds (distance) P-C4' energy: -149.637 flat angles C4'-P-C4' energy: -172.231 flat angles P-C4'-P energy: -125.972 tors. eta vs tors. theta energy: -245.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2886.881204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.881204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.881204 (E_RNA) where: Base-Base interactions energy: -2081.911 where: short stacking energy: -841.816 Base-Backbone interact. energy: -0.806 local terms energy: -804.164284 where: bonds (distance) C4'-P energy: -154.262 bonds (distance) P-C4' energy: -145.626 flat angles C4'-P-C4' energy: -157.450 flat angles P-C4'-P energy: -121.474 tors. eta vs tors. theta energy: -225.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2780.526160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.526160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.526160 (E_RNA) where: Base-Base interactions energy: -1955.445 where: short stacking energy: -825.817 Base-Backbone interact. energy: -4.247 local terms energy: -820.833950 where: bonds (distance) C4'-P energy: -158.042 bonds (distance) P-C4' energy: -153.626 flat angles C4'-P-C4' energy: -176.050 flat angles P-C4'-P energy: -119.417 tors. eta vs tors. theta energy: -213.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2657.254326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.254326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.254326 (E_RNA) where: Base-Base interactions energy: -1889.305 where: short stacking energy: -777.447 Base-Backbone interact. energy: -2.261 local terms energy: -765.688014 where: bonds (distance) C4'-P energy: -121.593 bonds (distance) P-C4' energy: -148.980 flat angles C4'-P-C4' energy: -173.400 flat angles P-C4'-P energy: -122.969 tors. eta vs tors. theta energy: -198.746 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: 456 Temperature: 1.150000 Total energy: -2397.627548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.627548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.627548 (E_RNA) where: Base-Base interactions energy: -1684.307 where: short stacking energy: -702.654 Base-Backbone interact. energy: 2.583 local terms energy: -715.903629 where: bonds (distance) C4'-P energy: -134.279 bonds (distance) P-C4' energy: -124.045 flat angles C4'-P-C4' energy: -160.968 flat angles P-C4'-P energy: -104.201 tors. eta vs tors. theta energy: -192.410 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: 10 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2352.338621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.338621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.338621 (E_RNA) where: Base-Base interactions energy: -1677.474 where: short stacking energy: -710.120 Base-Backbone interact. energy: -2.784 local terms energy: -672.080982 where: bonds (distance) C4'-P energy: -120.768 bonds (distance) P-C4' energy: -144.827 flat angles C4'-P-C4' energy: -136.755 flat angles P-C4'-P energy: -90.859 tors. eta vs tors. theta energy: -178.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -2040.289866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.289866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.289866 (E_RNA) where: Base-Base interactions energy: -1435.382 where: short stacking energy: -621.877 Base-Backbone interact. energy: 3.031 local terms energy: -607.938627 where: bonds (distance) C4'-P energy: -99.600 bonds (distance) P-C4' energy: -147.465 flat angles C4'-P-C4' energy: -141.247 flat angles P-C4'-P energy: -93.091 tors. eta vs tors. theta energy: -126.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1973.636900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.636900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.636900 (E_RNA) where: Base-Base interactions energy: -1356.304 where: short stacking energy: -598.250 Base-Backbone interact. energy: -2.993 local terms energy: -614.339362 where: bonds (distance) C4'-P energy: -119.526 bonds (distance) P-C4' energy: -113.581 flat angles C4'-P-C4' energy: -147.245 flat angles P-C4'-P energy: -82.132 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: 10, replica: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1162.827787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.827787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.827787 (E_RNA) where: Base-Base interactions energy: -751.942 where: short stacking energy: -345.729 Base-Backbone interact. energy: 3.788 local terms energy: -414.673758 where: bonds (distance) C4'-P energy: -126.808 bonds (distance) P-C4' energy: -120.471 flat angles C4'-P-C4' energy: -104.180 flat angles P-C4'-P energy: -42.666 tors. eta vs tors. theta energy: -20.549 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: 1, replica: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3130.886126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.886126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.886126 (E_RNA) where: Base-Base interactions energy: -2252.191 where: short stacking energy: -944.298 Base-Backbone interact. energy: -3.177 local terms energy: -875.518559 where: bonds (distance) C4'-P energy: -155.899 bonds (distance) P-C4' energy: -162.204 flat angles C4'-P-C4' energy: -195.368 flat angles P-C4'-P energy: -111.519 tors. eta vs tors. theta energy: -250.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2988.464022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.464022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.464022 (E_RNA) where: Base-Base interactions energy: -2143.288 where: short stacking energy: -881.932 Base-Backbone interact. energy: -2.442 local terms energy: -842.733692 where: bonds (distance) C4'-P energy: -124.557 bonds (distance) P-C4' energy: -158.444 flat angles C4'-P-C4' energy: -188.420 flat angles P-C4'-P energy: -119.865 tors. eta vs tors. theta energy: -251.448 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: 3, replica: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2875.461747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.461747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.461747 (E_RNA) where: Base-Base interactions energy: -2068.810 where: short stacking energy: -854.773 Base-Backbone interact. energy: 2.029 local terms energy: -808.680361 where: bonds (distance) C4'-P energy: -131.305 bonds (distance) P-C4' energy: -171.478 flat angles C4'-P-C4' energy: -178.666 flat angles P-C4'-P energy: -102.908 tors. eta vs tors. theta energy: -224.324 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: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2779.573143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.573143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.573143 (E_RNA) where: Base-Base interactions energy: -2006.364 where: short stacking energy: -805.508 Base-Backbone interact. energy: -4.462 local terms energy: -768.747731 where: bonds (distance) C4'-P energy: -138.271 bonds (distance) P-C4' energy: -127.384 flat angles C4'-P-C4' energy: -175.716 flat angles P-C4'-P energy: -113.944 tors. eta vs tors. theta energy: -213.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2704.718063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.718063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.718063 (E_RNA) where: Base-Base interactions energy: -1944.004 where: short stacking energy: -797.716 Base-Backbone interact. energy: -1.304 local terms energy: -759.409941 where: bonds (distance) C4'-P energy: -115.840 bonds (distance) P-C4' energy: -148.090 flat angles C4'-P-C4' energy: -172.174 flat angles P-C4'-P energy: -113.702 tors. eta vs tors. theta energy: -209.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2428.191129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.191129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.191129 (E_RNA) where: Base-Base interactions energy: -1704.835 where: short stacking energy: -727.571 Base-Backbone interact. energy: -8.017 local terms energy: -715.338959 where: bonds (distance) C4'-P energy: -135.947 bonds (distance) P-C4' energy: -145.005 flat angles C4'-P-C4' energy: -155.245 flat angles P-C4'-P energy: -95.644 tors. eta vs tors. theta energy: -183.499 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: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2405.364701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.364701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.364701 (E_RNA) where: Base-Base interactions energy: -1691.296 where: short stacking energy: -702.567 Base-Backbone interact. energy: -4.223 local terms energy: -709.846072 where: bonds (distance) C4'-P energy: -132.166 bonds (distance) P-C4' energy: -133.656 flat angles C4'-P-C4' energy: -156.780 flat angles P-C4'-P energy: -106.724 tors. eta vs tors. theta energy: -180.519 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: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1968.641871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.641871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.641871 (E_RNA) where: Base-Base interactions energy: -1404.454 where: short stacking energy: -552.135 Base-Backbone interact. energy: 6.657 local terms energy: -570.845187 where: bonds (distance) C4'-P energy: -105.090 bonds (distance) P-C4' energy: -133.570 flat angles C4'-P-C4' energy: -123.214 flat angles P-C4'-P energy: -90.791 tors. eta vs tors. theta energy: -118.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1864.881898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.881898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.881898 (E_RNA) where: Base-Base interactions energy: -1270.875 where: short stacking energy: -546.065 Base-Backbone interact. energy: -2.300 local terms energy: -591.706670 where: bonds (distance) C4'-P energy: -126.059 bonds (distance) P-C4' energy: -126.739 flat angles C4'-P-C4' energy: -146.574 flat angles P-C4'-P energy: -77.602 tors. eta vs tors. theta energy: -114.733 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: 10, replica: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1256.154968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.154968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.154968 (E_RNA) where: Base-Base interactions energy: -794.366 where: short stacking energy: -375.384 Base-Backbone interact. energy: 5.352 local terms energy: -467.140318 where: bonds (distance) C4'-P energy: -102.221 bonds (distance) P-C4' energy: -134.111 flat angles C4'-P-C4' energy: -123.923 flat angles P-C4'-P energy: -63.117 tors. eta vs tors. theta energy: -43.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3129.258257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.258257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.258257 (E_RNA) where: Base-Base interactions energy: -2227.943 where: short stacking energy: -913.333 Base-Backbone interact. energy: 0.717 local terms energy: -902.031933 where: bonds (distance) C4'-P energy: -161.855 bonds (distance) P-C4' energy: -169.317 flat angles C4'-P-C4' energy: -187.289 flat angles P-C4'-P energy: -135.943 tors. eta vs tors. theta energy: -247.629 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: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2986.824981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.824981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.824981 (E_RNA) where: Base-Base interactions energy: -2109.045 where: short stacking energy: -884.664 Base-Backbone interact. energy: -7.256 local terms energy: -870.524608 where: bonds (distance) C4'-P energy: -146.264 bonds (distance) P-C4' energy: -164.823 flat angles C4'-P-C4' energy: -189.942 flat angles P-C4'-P energy: -119.930 tors. eta vs tors. theta energy: -249.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2929.232083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.232083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.232083 (E_RNA) where: Base-Base interactions energy: -2110.209 where: short stacking energy: -832.788 Base-Backbone interact. energy: -3.627 local terms energy: -815.395938 where: bonds (distance) C4'-P energy: -150.882 bonds (distance) P-C4' energy: -142.039 flat angles C4'-P-C4' energy: -167.269 flat angles P-C4'-P energy: -126.664 tors. eta vs tors. theta energy: -228.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2742.787372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.787372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.787372 (E_RNA) where: Base-Base interactions energy: -1968.459 where: short stacking energy: -805.660 Base-Backbone interact. energy: -3.487 local terms energy: -770.841980 where: bonds (distance) C4'-P energy: -133.267 bonds (distance) P-C4' energy: -113.430 flat angles C4'-P-C4' energy: -176.934 flat angles P-C4'-P energy: -125.664 tors. eta vs tors. theta energy: -221.547 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: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2671.124176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.124176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.124176 (E_RNA) where: Base-Base interactions energy: -1923.301 where: short stacking energy: -788.431 Base-Backbone interact. energy: -2.244 local terms energy: -745.579355 where: bonds (distance) C4'-P energy: -123.001 bonds (distance) P-C4' energy: -137.522 flat angles C4'-P-C4' energy: -171.889 flat angles P-C4'-P energy: -97.916 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: 6, replica: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2444.013406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.013406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.013406 (E_RNA) where: Base-Base interactions energy: -1714.776 where: short stacking energy: -721.622 Base-Backbone interact. energy: -1.005 local terms energy: -728.232886 where: bonds (distance) C4'-P energy: -131.720 bonds (distance) P-C4' energy: -142.752 flat angles C4'-P-C4' energy: -163.016 flat angles P-C4'-P energy: -105.511 tors. eta vs tors. theta energy: -185.235 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: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2300.526741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.526741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.526741 (E_RNA) where: Base-Base interactions energy: -1618.916 where: short stacking energy: -686.507 Base-Backbone interact. energy: 8.995 local terms energy: -690.606421 where: bonds (distance) C4'-P energy: -136.124 bonds (distance) P-C4' energy: -117.699 flat angles C4'-P-C4' energy: -155.151 flat angles P-C4'-P energy: -106.348 tors. eta vs tors. theta energy: -175.285 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: 458 Temperature: 1.250000 Total energy: -1972.559671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.559671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.559671 (E_RNA) where: Base-Base interactions energy: -1355.799 where: short stacking energy: -584.916 Base-Backbone interact. energy: 0.499 local terms energy: -617.259337 where: bonds (distance) C4'-P energy: -113.492 bonds (distance) P-C4' energy: -142.808 flat angles C4'-P-C4' energy: -148.107 flat angles P-C4'-P energy: -81.835 tors. eta vs tors. theta energy: -131.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1897.238611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.238611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.238611 (E_RNA) where: Base-Base interactions energy: -1333.456 where: short stacking energy: -569.283 Base-Backbone interact. energy: -0.121 local terms energy: -563.661740 where: bonds (distance) C4'-P energy: -121.012 bonds (distance) P-C4' energy: -117.310 flat angles C4'-P-C4' energy: -142.004 flat angles P-C4'-P energy: -56.848 tors. eta vs tors. theta energy: -126.487 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: 8 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1254.230999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.230999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.230999 (E_RNA) where: Base-Base interactions energy: -787.723 where: short stacking energy: -360.153 Base-Backbone interact. energy: 1.592 local terms energy: -468.100360 where: bonds (distance) C4'-P energy: -107.988 bonds (distance) P-C4' energy: -138.808 flat angles C4'-P-C4' energy: -108.187 flat angles P-C4'-P energy: -72.320 tors. eta vs tors. theta energy: -40.797 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: 459 Temperature: 0.900000 Total energy: -3127.512392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.512392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.512392 (E_RNA) where: Base-Base interactions energy: -2271.075 where: short stacking energy: -948.800 Base-Backbone interact. energy: 1.771 local terms energy: -858.208746 where: bonds (distance) C4'-P energy: -143.985 bonds (distance) P-C4' energy: -154.490 flat angles C4'-P-C4' energy: -178.608 flat angles P-C4'-P energy: -133.520 tors. eta vs tors. theta energy: -247.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2968.960316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.960316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.960316 (E_RNA) where: Base-Base interactions energy: -2141.616 where: short stacking energy: -853.657 Base-Backbone interact. energy: 3.955 local terms energy: -831.299338 where: bonds (distance) C4'-P energy: -140.591 bonds (distance) P-C4' energy: -153.144 flat angles C4'-P-C4' energy: -186.695 flat angles P-C4'-P energy: -122.293 tors. eta vs tors. theta energy: -228.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2963.636315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.636315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.636315 (E_RNA) where: Base-Base interactions energy: -2109.469 where: short stacking energy: -877.889 Base-Backbone interact. energy: -1.914 local terms energy: -852.252383 where: bonds (distance) C4'-P energy: -155.513 bonds (distance) P-C4' energy: -154.431 flat angles C4'-P-C4' energy: -177.408 flat angles P-C4'-P energy: -119.402 tors. eta vs tors. theta energy: -245.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2716.564851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.564851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.564851 (E_RNA) where: Base-Base interactions energy: -1960.340 where: short stacking energy: -769.642 Base-Backbone interact. energy: -2.011 local terms energy: -754.213298 where: bonds (distance) C4'-P energy: -144.906 bonds (distance) P-C4' energy: -128.115 flat angles C4'-P-C4' energy: -166.356 flat angles P-C4'-P energy: -120.659 tors. eta vs tors. theta energy: -194.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2691.238789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.238789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.238789 (E_RNA) where: Base-Base interactions energy: -1909.191 where: short stacking energy: -774.634 Base-Backbone interact. energy: -2.841 local terms energy: -779.206725 where: bonds (distance) C4'-P energy: -122.924 bonds (distance) P-C4' energy: -159.104 flat angles C4'-P-C4' energy: -165.834 flat angles P-C4'-P energy: -118.982 tors. eta vs tors. theta energy: -212.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2438.962234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.962234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.962234 (E_RNA) where: Base-Base interactions energy: -1731.458 where: short stacking energy: -733.936 Base-Backbone interact. energy: 0.738 local terms energy: -708.242314 where: bonds (distance) C4'-P energy: -134.691 bonds (distance) P-C4' energy: -135.065 flat angles C4'-P-C4' energy: -159.193 flat angles P-C4'-P energy: -110.123 tors. eta vs tors. theta energy: -169.171 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: 459 Temperature: 1.200000 Total energy: -2326.794500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.794500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.794500 (E_RNA) where: Base-Base interactions energy: -1659.712 where: short stacking energy: -712.708 Base-Backbone interact. energy: 2.282 local terms energy: -669.364640 where: bonds (distance) C4'-P energy: -131.334 bonds (distance) P-C4' energy: -129.284 flat angles C4'-P-C4' energy: -145.399 flat angles P-C4'-P energy: -91.838 tors. eta vs tors. theta energy: -171.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -2008.836680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.836680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.836680 (E_RNA) where: Base-Base interactions energy: -1431.798 where: short stacking energy: -587.747 Base-Backbone interact. energy: -1.566 local terms energy: -575.472160 where: bonds (distance) C4'-P energy: -102.931 bonds (distance) P-C4' energy: -133.577 flat angles C4'-P-C4' energy: -141.831 flat angles P-C4'-P energy: -78.671 tors. eta vs tors. theta energy: -118.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1922.142883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.142883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.142883 (E_RNA) where: Base-Base interactions energy: -1343.331 where: short stacking energy: -605.819 Base-Backbone interact. energy: 1.038 local terms energy: -579.849905 where: bonds (distance) C4'-P energy: -115.703 bonds (distance) P-C4' energy: -126.446 flat angles C4'-P-C4' energy: -130.387 flat angles P-C4'-P energy: -78.907 tors. eta vs tors. theta energy: -128.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1205.993581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.993581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.993581 (E_RNA) where: Base-Base interactions energy: -739.104 where: short stacking energy: -363.985 Base-Backbone interact. energy: -4.678 local terms energy: -462.211399 where: bonds (distance) C4'-P energy: -124.181 bonds (distance) P-C4' energy: -125.608 flat angles C4'-P-C4' energy: -114.204 flat angles P-C4'-P energy: -59.563 tors. eta vs tors. theta energy: -38.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3166.957930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.957930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.957930 (E_RNA) where: Base-Base interactions energy: -2278.034 where: short stacking energy: -952.796 Base-Backbone interact. energy: -2.132 local terms energy: -886.792513 where: bonds (distance) C4'-P energy: -151.712 bonds (distance) P-C4' energy: -163.671 flat angles C4'-P-C4' energy: -180.926 flat angles P-C4'-P energy: -130.955 tors. eta vs tors. theta energy: -259.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2943.868730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.868730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.868730 (E_RNA) where: Base-Base interactions energy: -2126.685 where: short stacking energy: -842.307 Base-Backbone interact. energy: -6.601 local terms energy: -810.583345 where: bonds (distance) C4'-P energy: -135.841 bonds (distance) P-C4' energy: -158.959 flat angles C4'-P-C4' energy: -174.307 flat angles P-C4'-P energy: -114.432 tors. eta vs tors. theta energy: -227.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2963.698573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.698573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.698573 (E_RNA) where: Base-Base interactions energy: -2118.991 where: short stacking energy: -892.674 Base-Backbone interact. energy: -3.405 local terms energy: -841.302731 where: bonds (distance) C4'-P energy: -142.538 bonds (distance) P-C4' energy: -160.573 flat angles C4'-P-C4' energy: -173.156 flat angles P-C4'-P energy: -111.012 tors. eta vs tors. theta energy: -254.024 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: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2781.393423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.393423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.393423 (E_RNA) where: Base-Base interactions energy: -1972.715 where: short stacking energy: -792.377 Base-Backbone interact. energy: -2.195 local terms energy: -806.483052 where: bonds (distance) C4'-P energy: -150.805 bonds (distance) P-C4' energy: -152.669 flat angles C4'-P-C4' energy: -188.310 flat angles P-C4'-P energy: -105.087 tors. eta vs tors. theta energy: -209.613 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: 2 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2640.490022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.490022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.490022 (E_RNA) where: Base-Base interactions energy: -1877.791 where: short stacking energy: -796.911 Base-Backbone interact. energy: -1.555 local terms energy: -761.143631 where: bonds (distance) C4'-P energy: -132.735 bonds (distance) P-C4' energy: -154.895 flat angles C4'-P-C4' energy: -154.212 flat angles P-C4'-P energy: -104.837 tors. eta vs tors. theta energy: -214.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2462.112245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.112245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.112245 (E_RNA) where: Base-Base interactions energy: -1743.273 where: short stacking energy: -745.278 Base-Backbone interact. energy: -0.865 local terms energy: -717.974677 where: bonds (distance) C4'-P energy: -140.410 bonds (distance) P-C4' energy: -133.521 flat angles C4'-P-C4' energy: -160.591 flat angles P-C4'-P energy: -118.546 tors. eta vs tors. theta energy: -164.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2423.424278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.424278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.424278 (E_RNA) where: Base-Base interactions energy: -1714.101 where: short stacking energy: -702.524 Base-Backbone interact. energy: 1.699 local terms energy: -711.022157 where: bonds (distance) C4'-P energy: -131.133 bonds (distance) P-C4' energy: -134.885 flat angles C4'-P-C4' energy: -166.118 flat angles P-C4'-P energy: -102.034 tors. eta vs tors. theta energy: -176.852 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: 460 Temperature: 1.250000 Total energy: -2079.220242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.220242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.220242 (E_RNA) where: Base-Base interactions energy: -1445.751 where: short stacking energy: -584.601 Base-Backbone interact. energy: -2.395 local terms energy: -631.073873 where: bonds (distance) C4'-P energy: -119.262 bonds (distance) P-C4' energy: -146.604 flat angles C4'-P-C4' energy: -138.068 flat angles P-C4'-P energy: -89.259 tors. eta vs tors. theta energy: -137.882 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: 460 Temperature: 1.300000 Total energy: -1897.454729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.454729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.454729 (E_RNA) where: Base-Base interactions energy: -1317.243 where: short stacking energy: -553.717 Base-Backbone interact. energy: -2.586 local terms energy: -577.625673 where: bonds (distance) C4'-P energy: -124.598 bonds (distance) P-C4' energy: -109.831 flat angles C4'-P-C4' energy: -139.341 flat angles P-C4'-P energy: -76.705 tors. eta vs tors. theta energy: -127.151 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: 460 Temperature: 1.350000 Total energy: -1183.154027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.154027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.154027 (E_RNA) where: Base-Base interactions energy: -714.865 where: short stacking energy: -352.703 Base-Backbone interact. energy: -0.722 local terms energy: -467.567620 where: bonds (distance) C4'-P energy: -128.169 bonds (distance) P-C4' energy: -134.073 flat angles C4'-P-C4' energy: -123.759 flat angles P-C4'-P energy: -62.922 tors. eta vs tors. theta energy: -18.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3135.652769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.652769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.652769 (E_RNA) where: Base-Base interactions energy: -2262.993 where: short stacking energy: -930.607 Base-Backbone interact. energy: 8.711 local terms energy: -881.370565 where: bonds (distance) C4'-P energy: -161.480 bonds (distance) P-C4' energy: -148.941 flat angles C4'-P-C4' energy: -190.748 flat angles P-C4'-P energy: -128.609 tors. eta vs tors. theta energy: -251.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -3043.837410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.837410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.837410 (E_RNA) where: Base-Base interactions energy: -2186.068 where: short stacking energy: -920.773 Base-Backbone interact. energy: -2.489 local terms energy: -855.280910 where: bonds (distance) C4'-P energy: -150.329 bonds (distance) P-C4' energy: -152.267 flat angles C4'-P-C4' energy: -179.190 flat angles P-C4'-P energy: -117.194 tors. eta vs tors. theta energy: -256.300 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: 461 Temperature: 1.000000 Total energy: -2906.553907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.553907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.553907 (E_RNA) where: Base-Base interactions energy: -2100.742 where: short stacking energy: -868.455 Base-Backbone interact. energy: -8.666 local terms energy: -797.145661 where: bonds (distance) C4'-P energy: -144.773 bonds (distance) P-C4' energy: -142.668 flat angles C4'-P-C4' energy: -172.395 flat angles P-C4'-P energy: -113.655 tors. eta vs tors. theta energy: -223.654 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: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2752.672806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.672806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.672806 (E_RNA) where: Base-Base interactions energy: -1984.040 where: short stacking energy: -835.685 Base-Backbone interact. energy: -2.219 local terms energy: -766.413597 where: bonds (distance) C4'-P energy: -122.307 bonds (distance) P-C4' energy: -152.555 flat angles C4'-P-C4' energy: -173.048 flat angles P-C4'-P energy: -114.565 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: 5 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2642.618201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.618201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.618201 (E_RNA) where: Base-Base interactions energy: -1903.977 where: short stacking energy: -755.191 Base-Backbone interact. energy: -0.231 local terms energy: -738.410712 where: bonds (distance) C4'-P energy: -141.459 bonds (distance) P-C4' energy: -141.858 flat angles C4'-P-C4' energy: -162.271 flat angles P-C4'-P energy: -97.908 tors. eta vs tors. theta energy: -194.916 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: 461 Temperature: 1.150000 Total energy: -2472.535931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.535931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.535931 (E_RNA) where: Base-Base interactions energy: -1778.821 where: short stacking energy: -740.941 Base-Backbone interact. energy: -2.002 local terms energy: -691.712878 where: bonds (distance) C4'-P energy: -138.237 bonds (distance) P-C4' energy: -128.977 flat angles C4'-P-C4' energy: -148.144 flat angles P-C4'-P energy: -108.582 tors. eta vs tors. theta energy: -167.773 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: 7, replica: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2350.814626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.814626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.814626 (E_RNA) where: Base-Base interactions energy: -1633.047 where: short stacking energy: -654.332 Base-Backbone interact. energy: -1.782 local terms energy: -715.984992 where: bonds (distance) C4'-P energy: -134.027 bonds (distance) P-C4' energy: -131.806 flat angles C4'-P-C4' energy: -165.643 flat angles P-C4'-P energy: -101.000 tors. eta vs tors. theta energy: -183.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -2127.788877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.788877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.788877 (E_RNA) where: Base-Base interactions energy: -1479.669 where: short stacking energy: -625.158 Base-Backbone interact. energy: -2.815 local terms energy: -645.304458 where: bonds (distance) C4'-P energy: -132.086 bonds (distance) P-C4' energy: -137.650 flat angles C4'-P-C4' energy: -140.619 flat angles P-C4'-P energy: -102.455 tors. eta vs tors. theta energy: -132.494 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: 9 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1886.066738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.066738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.066738 (E_RNA) where: Base-Base interactions energy: -1298.529 where: short stacking energy: -550.242 Base-Backbone interact. energy: -3.377 local terms energy: -584.160591 where: bonds (distance) C4'-P energy: -112.301 bonds (distance) P-C4' energy: -125.298 flat angles C4'-P-C4' energy: -131.393 flat angles P-C4'-P energy: -91.231 tors. eta vs tors. theta energy: -123.938 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: 8 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1149.834365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.834365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.834365 (E_RNA) where: Base-Base interactions energy: -680.187 where: short stacking energy: -323.169 Base-Backbone interact. energy: -0.272 local terms energy: -469.375084 where: bonds (distance) C4'-P energy: -130.241 bonds (distance) P-C4' energy: -119.486 flat angles C4'-P-C4' energy: -96.570 flat angles P-C4'-P energy: -75.954 tors. eta vs tors. theta energy: -47.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3139.957368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.957368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.957368 (E_RNA) where: Base-Base interactions energy: -2253.330 where: short stacking energy: -908.937 Base-Backbone interact. energy: 2.893 local terms energy: -889.520175 where: bonds (distance) C4'-P energy: -171.725 bonds (distance) P-C4' energy: -163.729 flat angles C4'-P-C4' energy: -181.955 flat angles P-C4'-P energy: -122.589 tors. eta vs tors. theta energy: -249.523 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: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -3033.814017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.814017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.814017 (E_RNA) where: Base-Base interactions energy: -2171.850 where: short stacking energy: -902.041 Base-Backbone interact. energy: -4.917 local terms energy: -857.046433 where: bonds (distance) C4'-P energy: -147.161 bonds (distance) P-C4' energy: -164.291 flat angles C4'-P-C4' energy: -182.619 flat angles P-C4'-P energy: -108.557 tors. eta vs tors. theta energy: -254.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2912.000593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.000593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.000593 (E_RNA) where: Base-Base interactions energy: -2114.524 where: short stacking energy: -862.725 Base-Backbone interact. energy: 0.969 local terms energy: -798.446078 where: bonds (distance) C4'-P energy: -145.799 bonds (distance) P-C4' energy: -147.628 flat angles C4'-P-C4' energy: -170.208 flat angles P-C4'-P energy: -105.155 tors. eta vs tors. theta energy: -229.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2764.288104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.288104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.288104 (E_RNA) where: Base-Base interactions energy: -2005.892 where: short stacking energy: -830.130 Base-Backbone interact. energy: -0.694 local terms energy: -757.702307 where: bonds (distance) C4'-P energy: -141.075 bonds (distance) P-C4' energy: -141.464 flat angles C4'-P-C4' energy: -172.929 flat angles P-C4'-P energy: -86.085 tors. eta vs tors. theta energy: -216.148 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: 462 Temperature: 1.100000 Total energy: -2678.103236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.103236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.103236 (E_RNA) where: Base-Base interactions energy: -1896.780 where: short stacking energy: -752.930 Base-Backbone interact. energy: -5.846 local terms energy: -775.477774 where: bonds (distance) C4'-P energy: -155.168 bonds (distance) P-C4' energy: -156.122 flat angles C4'-P-C4' energy: -176.092 flat angles P-C4'-P energy: -104.218 tors. eta vs tors. theta energy: -183.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2478.898956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.898956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.898956 (E_RNA) where: Base-Base interactions energy: -1760.918 where: short stacking energy: -734.689 Base-Backbone interact. energy: -3.965 local terms energy: -714.015830 where: bonds (distance) C4'-P energy: -133.033 bonds (distance) P-C4' energy: -145.678 flat angles C4'-P-C4' energy: -158.169 flat angles P-C4'-P energy: -97.125 tors. eta vs tors. theta energy: -180.011 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: 7, replica: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2364.489950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.489950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.489950 (E_RNA) where: Base-Base interactions energy: -1673.221 where: short stacking energy: -697.696 Base-Backbone interact. energy: 2.612 local terms energy: -693.881773 where: bonds (distance) C4'-P energy: -118.075 bonds (distance) P-C4' energy: -132.374 flat angles C4'-P-C4' energy: -151.239 flat angles P-C4'-P energy: -115.907 tors. eta vs tors. theta energy: -176.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -2123.624262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.624262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.624262 (E_RNA) where: Base-Base interactions energy: -1489.695 where: short stacking energy: -618.642 Base-Backbone interact. energy: -4.857 local terms energy: -629.072735 where: bonds (distance) C4'-P energy: -123.221 bonds (distance) P-C4' energy: -133.492 flat angles C4'-P-C4' energy: -136.855 flat angles P-C4'-P energy: -89.692 tors. eta vs tors. theta energy: -145.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1901.914960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.914960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.914960 (E_RNA) where: Base-Base interactions energy: -1314.039 where: short stacking energy: -528.959 Base-Backbone interact. energy: -1.203 local terms energy: -586.672863 where: bonds (distance) C4'-P energy: -129.873 bonds (distance) P-C4' energy: -137.220 flat angles C4'-P-C4' energy: -132.672 flat angles P-C4'-P energy: -80.770 tors. eta vs tors. theta energy: -106.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1144.653552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.653552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.653552 (E_RNA) where: Base-Base interactions energy: -676.369 where: short stacking energy: -342.540 Base-Backbone interact. energy: 1.402 local terms energy: -469.686876 where: bonds (distance) C4'-P energy: -132.307 bonds (distance) P-C4' energy: -116.712 flat angles C4'-P-C4' energy: -98.108 flat angles P-C4'-P energy: -85.455 tors. eta vs tors. theta energy: -37.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3150.474049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.474049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.474049 (E_RNA) where: Base-Base interactions energy: -2248.882 where: short stacking energy: -942.020 Base-Backbone interact. energy: -3.729 local terms energy: -897.863088 where: bonds (distance) C4'-P energy: -173.923 bonds (distance) P-C4' energy: -163.072 flat angles C4'-P-C4' energy: -178.457 flat angles P-C4'-P energy: -132.092 tors. eta vs tors. theta energy: -250.319 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: 463 Temperature: 0.950000 Total energy: -2999.847886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.847886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.847886 (E_RNA) where: Base-Base interactions energy: -2150.782 where: short stacking energy: -890.655 Base-Backbone interact. energy: -3.075 local terms energy: -845.990629 where: bonds (distance) C4'-P energy: -138.091 bonds (distance) P-C4' energy: -161.352 flat angles C4'-P-C4' energy: -176.613 flat angles P-C4'-P energy: -118.539 tors. eta vs tors. theta energy: -251.396 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: 3, replica: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2900.124342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.124342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.124342 (E_RNA) where: Base-Base interactions energy: -2053.153 where: short stacking energy: -822.892 Base-Backbone interact. energy: -3.867 local terms energy: -843.103956 where: bonds (distance) C4'-P energy: -154.983 bonds (distance) P-C4' energy: -161.460 flat angles C4'-P-C4' energy: -183.300 flat angles P-C4'-P energy: -120.167 tors. eta vs tors. theta energy: -223.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2741.524005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.524005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.524005 (E_RNA) where: Base-Base interactions energy: -1951.414 where: short stacking energy: -784.038 Base-Backbone interact. energy: -1.875 local terms energy: -788.234961 where: bonds (distance) C4'-P energy: -145.147 bonds (distance) P-C4' energy: -148.268 flat angles C4'-P-C4' energy: -173.933 flat angles P-C4'-P energy: -121.785 tors. eta vs tors. theta energy: -199.101 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: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2705.302850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.302850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.302850 (E_RNA) where: Base-Base interactions energy: -1963.102 where: short stacking energy: -785.875 Base-Backbone interact. energy: -5.154 local terms energy: -737.046820 where: bonds (distance) C4'-P energy: -141.019 bonds (distance) P-C4' energy: -136.906 flat angles C4'-P-C4' energy: -163.254 flat angles P-C4'-P energy: -95.043 tors. eta vs tors. theta energy: -200.824 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: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2513.317089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.317089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.317089 (E_RNA) where: Base-Base interactions energy: -1760.646 where: short stacking energy: -754.233 Base-Backbone interact. energy: -1.427 local terms energy: -751.243764 where: bonds (distance) C4'-P energy: -134.516 bonds (distance) P-C4' energy: -138.834 flat angles C4'-P-C4' energy: -172.878 flat angles P-C4'-P energy: -105.323 tors. eta vs tors. theta energy: -199.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2312.166048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.166048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.166048 (E_RNA) where: Base-Base interactions energy: -1600.973 where: short stacking energy: -656.708 Base-Backbone interact. energy: -4.279 local terms energy: -706.914124 where: bonds (distance) C4'-P energy: -146.963 bonds (distance) P-C4' energy: -143.842 flat angles C4'-P-C4' energy: -153.914 flat angles P-C4'-P energy: -86.897 tors. eta vs tors. theta energy: -175.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -2096.370666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.370666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.370666 (E_RNA) where: Base-Base interactions energy: -1449.562 where: short stacking energy: -608.721 Base-Backbone interact. energy: -3.154 local terms energy: -643.654401 where: bonds (distance) C4'-P energy: -126.513 bonds (distance) P-C4' energy: -148.844 flat angles C4'-P-C4' energy: -138.917 flat angles P-C4'-P energy: -79.854 tors. eta vs tors. theta energy: -149.527 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: 463 Temperature: 1.300000 Total energy: -1941.437491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.437491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.437491 (E_RNA) where: Base-Base interactions energy: -1281.708 where: short stacking energy: -573.821 Base-Backbone interact. energy: -0.627 local terms energy: -659.102773 where: bonds (distance) C4'-P energy: -116.191 bonds (distance) P-C4' energy: -149.720 flat angles C4'-P-C4' energy: -170.281 flat angles P-C4'-P energy: -81.232 tors. eta vs tors. theta energy: -141.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1139.474312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.474312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.474312 (E_RNA) where: Base-Base interactions energy: -678.161 where: short stacking energy: -321.746 Base-Backbone interact. energy: 6.797 local terms energy: -468.110253 where: bonds (distance) C4'-P energy: -130.194 bonds (distance) P-C4' energy: -125.439 flat angles C4'-P-C4' energy: -125.457 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -27.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3139.839226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.839226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.839226 (E_RNA) where: Base-Base interactions energy: -2259.504 where: short stacking energy: -936.940 Base-Backbone interact. energy: 2.587 local terms energy: -882.922945 where: bonds (distance) C4'-P energy: -155.372 bonds (distance) P-C4' energy: -160.338 flat angles C4'-P-C4' energy: -188.016 flat angles P-C4'-P energy: -117.608 tors. eta vs tors. theta energy: -261.589 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: 2, replica: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -3001.544504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.544504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.544504 (E_RNA) where: Base-Base interactions energy: -2111.324 where: short stacking energy: -888.611 Base-Backbone interact. energy: -5.311 local terms energy: -884.909745 where: bonds (distance) C4'-P energy: -156.756 bonds (distance) P-C4' energy: -154.548 flat angles C4'-P-C4' energy: -173.601 flat angles P-C4'-P energy: -143.712 tors. eta vs tors. theta energy: -256.293 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: 464 Temperature: 1.000000 Total energy: -2890.356308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.356308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.356308 (E_RNA) where: Base-Base interactions energy: -2081.269 where: short stacking energy: -844.287 Base-Backbone interact. energy: -3.416 local terms energy: -805.671063 where: bonds (distance) C4'-P energy: -138.250 bonds (distance) P-C4' energy: -160.064 flat angles C4'-P-C4' energy: -166.527 flat angles P-C4'-P energy: -122.625 tors. eta vs tors. theta energy: -218.205 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: 5 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2800.887560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.887560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.887560 (E_RNA) where: Base-Base interactions energy: -2031.306 where: short stacking energy: -807.456 Base-Backbone interact. energy: -2.731 local terms energy: -766.850443 where: bonds (distance) C4'-P energy: -119.550 bonds (distance) P-C4' energy: -154.057 flat angles C4'-P-C4' energy: -176.057 flat angles P-C4'-P energy: -103.392 tors. eta vs tors. theta energy: -213.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2685.647576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.647576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.647576 (E_RNA) where: Base-Base interactions energy: -1936.502 where: short stacking energy: -793.563 Base-Backbone interact. energy: -2.106 local terms energy: -747.040105 where: bonds (distance) C4'-P energy: -135.826 bonds (distance) P-C4' energy: -135.448 flat angles C4'-P-C4' energy: -179.772 flat angles P-C4'-P energy: -92.827 tors. eta vs tors. theta energy: -203.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2478.748782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.748782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.748782 (E_RNA) where: Base-Base interactions energy: -1754.816 where: short stacking energy: -740.270 Base-Backbone interact. energy: 1.133 local terms energy: -725.065404 where: bonds (distance) C4'-P energy: -142.315 bonds (distance) P-C4' energy: -140.398 flat angles C4'-P-C4' energy: -157.212 flat angles P-C4'-P energy: -102.294 tors. eta vs tors. theta energy: -182.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2293.962563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.962563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.962563 (E_RNA) where: Base-Base interactions energy: -1625.270 where: short stacking energy: -698.991 Base-Backbone interact. energy: -0.684 local terms energy: -668.008361 where: bonds (distance) C4'-P energy: -134.957 bonds (distance) P-C4' energy: -122.656 flat angles C4'-P-C4' energy: -140.810 flat angles P-C4'-P energy: -91.680 tors. eta vs tors. theta energy: -177.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -2110.553521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.553521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.553521 (E_RNA) where: Base-Base interactions energy: -1470.061 where: short stacking energy: -627.393 Base-Backbone interact. energy: -2.190 local terms energy: -638.303146 where: bonds (distance) C4'-P energy: -142.006 bonds (distance) P-C4' energy: -138.337 flat angles C4'-P-C4' energy: -151.360 flat angles P-C4'-P energy: -74.297 tors. eta vs tors. theta energy: -132.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1953.768685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.768685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.768685 (E_RNA) where: Base-Base interactions energy: -1366.087 where: short stacking energy: -586.138 Base-Backbone interact. energy: 2.676 local terms energy: -590.357089 where: bonds (distance) C4'-P energy: -138.992 bonds (distance) P-C4' energy: -110.824 flat angles C4'-P-C4' energy: -122.229 flat angles P-C4'-P energy: -89.402 tors. eta vs tors. theta energy: -128.910 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: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1190.198059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.198059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.198059 (E_RNA) where: Base-Base interactions energy: -730.842 where: short stacking energy: -369.572 Base-Backbone interact. energy: 0.224 local terms energy: -459.579756 where: bonds (distance) C4'-P energy: -119.604 bonds (distance) P-C4' energy: -131.664 flat angles C4'-P-C4' energy: -115.534 flat angles P-C4'-P energy: -68.863 tors. eta vs tors. theta energy: -23.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3142.287356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.287356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.287356 (E_RNA) where: Base-Base interactions energy: -2279.567 where: short stacking energy: -931.738 Base-Backbone interact. energy: -1.161 local terms energy: -861.559836 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -166.245 flat angles C4'-P-C4' energy: -183.357 flat angles P-C4'-P energy: -126.734 tors. eta vs tors. theta energy: -248.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -3017.890319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.890319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.890319 (E_RNA) where: Base-Base interactions energy: -2158.862 where: short stacking energy: -896.087 Base-Backbone interact. energy: -7.216 local terms energy: -851.812535 where: bonds (distance) C4'-P energy: -155.166 bonds (distance) P-C4' energy: -145.102 flat angles C4'-P-C4' energy: -159.043 flat angles P-C4'-P energy: -139.502 tors. eta vs tors. theta energy: -252.999 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: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2864.198520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.198520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.198520 (E_RNA) where: Base-Base interactions energy: -2071.130 where: short stacking energy: -846.877 Base-Backbone interact. energy: -4.369 local terms energy: -788.700090 where: bonds (distance) C4'-P energy: -124.119 bonds (distance) P-C4' energy: -130.645 flat angles C4'-P-C4' energy: -186.511 flat angles P-C4'-P energy: -127.646 tors. eta vs tors. theta energy: -219.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2795.280891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.280891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.280891 (E_RNA) where: Base-Base interactions energy: -2023.580 where: short stacking energy: -785.236 Base-Backbone interact. energy: -2.158 local terms energy: -769.543731 where: bonds (distance) C4'-P energy: -141.404 bonds (distance) P-C4' energy: -149.718 flat angles C4'-P-C4' energy: -163.255 flat angles P-C4'-P energy: -105.555 tors. eta vs tors. theta energy: -209.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2696.445970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.445970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.445970 (E_RNA) where: Base-Base interactions energy: -1949.534 where: short stacking energy: -780.750 Base-Backbone interact. energy: -0.001 local terms energy: -746.910908 where: bonds (distance) C4'-P energy: -141.968 bonds (distance) P-C4' energy: -142.676 flat angles C4'-P-C4' energy: -168.053 flat angles P-C4'-P energy: -103.299 tors. eta vs tors. theta energy: -190.914 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: 465 Temperature: 1.150000 Total energy: -2476.533761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.533761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.533761 (E_RNA) where: Base-Base interactions energy: -1760.057 where: short stacking energy: -730.837 Base-Backbone interact. energy: 0.192 local terms energy: -716.668709 where: bonds (distance) C4'-P energy: -133.976 bonds (distance) P-C4' energy: -133.996 flat angles C4'-P-C4' energy: -155.687 flat angles P-C4'-P energy: -103.460 tors. eta vs tors. theta energy: -189.549 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: 7, replica: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2309.519793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.519793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.519793 (E_RNA) where: Base-Base interactions energy: -1613.150 where: short stacking energy: -665.650 Base-Backbone interact. energy: -0.276 local terms energy: -696.093268 where: bonds (distance) C4'-P energy: -147.614 bonds (distance) P-C4' energy: -133.880 flat angles C4'-P-C4' energy: -149.303 flat angles P-C4'-P energy: -90.475 tors. eta vs tors. theta energy: -174.820 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: 465 Temperature: 1.250000 Total energy: -2144.205287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.205287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.205287 (E_RNA) where: Base-Base interactions energy: -1473.778 where: short stacking energy: -629.008 Base-Backbone interact. energy: -0.309 local terms energy: -670.118037 where: bonds (distance) C4'-P energy: -112.494 bonds (distance) P-C4' energy: -142.592 flat angles C4'-P-C4' energy: -163.374 flat angles P-C4'-P energy: -93.339 tors. eta vs tors. theta energy: -158.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1913.432459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.432459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.432459 (E_RNA) where: Base-Base interactions energy: -1333.458 where: short stacking energy: -581.281 Base-Backbone interact. energy: 2.560 local terms energy: -582.534343 where: bonds (distance) C4'-P energy: -133.035 bonds (distance) P-C4' energy: -111.532 flat angles C4'-P-C4' energy: -136.263 flat angles P-C4'-P energy: -84.222 tors. eta vs tors. theta energy: -117.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1208.825939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.825939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.825939 (E_RNA) where: Base-Base interactions energy: -721.355 where: short stacking energy: -344.321 Base-Backbone interact. energy: 3.311 local terms energy: -490.782198 where: bonds (distance) C4'-P energy: -133.327 bonds (distance) P-C4' energy: -137.921 flat angles C4'-P-C4' energy: -104.408 flat angles P-C4'-P energy: -80.802 tors. eta vs tors. theta energy: -34.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3141.088179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.088179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.088179 (E_RNA) where: Base-Base interactions energy: -2233.518 where: short stacking energy: -929.570 Base-Backbone interact. energy: 1.320 local terms energy: -908.890730 where: bonds (distance) C4'-P energy: -159.617 bonds (distance) P-C4' energy: -174.395 flat angles C4'-P-C4' energy: -194.739 flat angles P-C4'-P energy: -121.328 tors. eta vs tors. theta energy: -258.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2983.183217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.183217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.183217 (E_RNA) where: Base-Base interactions energy: -2110.632 where: short stacking energy: -889.126 Base-Backbone interact. energy: -3.968 local terms energy: -868.582894 where: bonds (distance) C4'-P energy: -164.958 bonds (distance) P-C4' energy: -143.821 flat angles C4'-P-C4' energy: -181.404 flat angles P-C4'-P energy: -123.043 tors. eta vs tors. theta energy: -255.357 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: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2865.326792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.326792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.326792 (E_RNA) where: Base-Base interactions energy: -2049.591 where: short stacking energy: -845.990 Base-Backbone interact. energy: 3.635 local terms energy: -819.371038 where: bonds (distance) C4'-P energy: -150.317 bonds (distance) P-C4' energy: -145.506 flat angles C4'-P-C4' energy: -179.741 flat angles P-C4'-P energy: -114.494 tors. eta vs tors. theta energy: -229.313 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: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2782.505594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.505594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.505594 (E_RNA) where: Base-Base interactions energy: -2027.138 where: short stacking energy: -808.978 Base-Backbone interact. energy: -2.520 local terms energy: -752.847259 where: bonds (distance) C4'-P energy: -150.884 bonds (distance) P-C4' energy: -124.561 flat angles C4'-P-C4' energy: -169.169 flat angles P-C4'-P energy: -101.455 tors. eta vs tors. theta energy: -206.778 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: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2739.964792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.964792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.964792 (E_RNA) where: Base-Base interactions energy: -1987.245 where: short stacking energy: -792.891 Base-Backbone interact. energy: -1.077 local terms energy: -751.642876 where: bonds (distance) C4'-P energy: -135.449 bonds (distance) P-C4' energy: -133.315 flat angles C4'-P-C4' energy: -154.425 flat angles P-C4'-P energy: -118.160 tors. eta vs tors. theta energy: -210.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2462.778728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.778728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.778728 (E_RNA) where: Base-Base interactions energy: -1729.691 where: short stacking energy: -726.831 Base-Backbone interact. energy: -0.974 local terms energy: -732.113901 where: bonds (distance) C4'-P energy: -138.758 bonds (distance) P-C4' energy: -159.087 flat angles C4'-P-C4' energy: -152.998 flat angles P-C4'-P energy: -99.273 tors. eta vs tors. theta energy: -181.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2295.507606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.507606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.507606 (E_RNA) where: Base-Base interactions energy: -1584.928 where: short stacking energy: -651.587 Base-Backbone interact. energy: 0.220 local terms energy: -710.799547 where: bonds (distance) C4'-P energy: -141.702 bonds (distance) P-C4' energy: -138.314 flat angles C4'-P-C4' energy: -154.101 flat angles P-C4'-P energy: -101.854 tors. eta vs tors. theta energy: -174.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -2092.414537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.414537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.414537 (E_RNA) where: Base-Base interactions energy: -1444.716 where: short stacking energy: -626.949 Base-Backbone interact. energy: -1.018 local terms energy: -646.681515 where: bonds (distance) C4'-P energy: -111.604 bonds (distance) P-C4' energy: -153.268 flat angles C4'-P-C4' energy: -151.299 flat angles P-C4'-P energy: -89.639 tors. eta vs tors. theta energy: -140.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1853.197470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.197470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.197470 (E_RNA) where: Base-Base interactions energy: -1275.844 where: short stacking energy: -529.640 Base-Backbone interact. energy: -0.475 local terms energy: -576.878373 where: bonds (distance) C4'-P energy: -123.675 bonds (distance) P-C4' energy: -123.817 flat angles C4'-P-C4' energy: -133.947 flat angles P-C4'-P energy: -81.507 tors. eta vs tors. theta energy: -113.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1162.148446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.148446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.148446 (E_RNA) where: Base-Base interactions energy: -724.001 where: short stacking energy: -369.327 Base-Backbone interact. energy: -2.145 local terms energy: -436.002335 where: bonds (distance) C4'-P energy: -108.374 bonds (distance) P-C4' energy: -133.268 flat angles C4'-P-C4' energy: -116.034 flat angles P-C4'-P energy: -48.805 tors. eta vs tors. theta energy: -29.520 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: 7 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3138.517103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.517103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.517103 (E_RNA) where: Base-Base interactions energy: -2251.080 where: short stacking energy: -918.829 Base-Backbone interact. energy: -4.117 local terms energy: -883.319757 where: bonds (distance) C4'-P energy: -158.127 bonds (distance) P-C4' energy: -166.992 flat angles C4'-P-C4' energy: -178.896 flat angles P-C4'-P energy: -123.530 tors. eta vs tors. theta energy: -255.775 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: 2, replica: 1 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -3000.911934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.911934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.911934 (E_RNA) where: Base-Base interactions energy: -2132.419 where: short stacking energy: -913.065 Base-Backbone interact. energy: -2.515 local terms energy: -865.978124 where: bonds (distance) C4'-P energy: -152.182 bonds (distance) P-C4' energy: -157.133 flat angles C4'-P-C4' energy: -180.980 flat angles P-C4'-P energy: -126.431 tors. eta vs tors. theta energy: -249.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2909.779761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.779761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.779761 (E_RNA) where: Base-Base interactions energy: -2097.204 where: short stacking energy: -888.609 Base-Backbone interact. energy: -5.219 local terms energy: -807.356742 where: bonds (distance) C4'-P energy: -150.992 bonds (distance) P-C4' energy: -146.253 flat angles C4'-P-C4' energy: -163.952 flat angles P-C4'-P energy: -112.539 tors. eta vs tors. theta energy: -233.621 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: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2786.526746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.526746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.526746 (E_RNA) where: Base-Base interactions energy: -1996.534 where: short stacking energy: -779.615 Base-Backbone interact. energy: -3.320 local terms energy: -786.672395 where: bonds (distance) C4'-P energy: -147.592 bonds (distance) P-C4' energy: -143.867 flat angles C4'-P-C4' energy: -177.843 flat angles P-C4'-P energy: -113.859 tors. eta vs tors. theta energy: -203.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2710.792358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.792358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.792358 (E_RNA) where: Base-Base interactions energy: -1940.432 where: short stacking energy: -804.189 Base-Backbone interact. energy: -5.480 local terms energy: -764.879793 where: bonds (distance) C4'-P energy: -136.543 bonds (distance) P-C4' energy: -158.234 flat angles C4'-P-C4' energy: -164.974 flat angles P-C4'-P energy: -94.208 tors. eta vs tors. theta energy: -210.922 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: 10 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2422.044836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.044836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.044836 (E_RNA) where: Base-Base interactions energy: -1706.893 where: short stacking energy: -712.429 Base-Backbone interact. energy: -5.436 local terms energy: -709.715503 where: bonds (distance) C4'-P energy: -135.594 bonds (distance) P-C4' energy: -140.976 flat angles C4'-P-C4' energy: -155.463 flat angles P-C4'-P energy: -109.539 tors. eta vs tors. theta energy: -168.144 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: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2310.432044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.432044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.432044 (E_RNA) where: Base-Base interactions energy: -1607.930 where: short stacking energy: -709.319 Base-Backbone interact. energy: 1.273 local terms energy: -703.774700 where: bonds (distance) C4'-P energy: -134.381 bonds (distance) P-C4' energy: -128.977 flat angles C4'-P-C4' energy: -162.682 flat angles P-C4'-P energy: -103.254 tors. eta vs tors. theta energy: -174.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -2068.400956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.400956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.400956 (E_RNA) where: Base-Base interactions energy: -1441.276 where: short stacking energy: -615.980 Base-Backbone interact. energy: -4.045 local terms energy: -623.080356 where: bonds (distance) C4'-P energy: -119.473 bonds (distance) P-C4' energy: -119.708 flat angles C4'-P-C4' energy: -149.343 flat angles P-C4'-P energy: -95.345 tors. eta vs tors. theta energy: -139.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1834.168640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.168640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.168640 (E_RNA) where: Base-Base interactions energy: -1268.043 where: short stacking energy: -525.826 Base-Backbone interact. energy: -4.334 local terms energy: -561.791295 where: bonds (distance) C4'-P energy: -119.127 bonds (distance) P-C4' energy: -125.138 flat angles C4'-P-C4' energy: -133.841 flat angles P-C4'-P energy: -79.694 tors. eta vs tors. theta energy: -103.992 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: 467 Temperature: 1.350000 Total energy: -1176.205174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.205174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.205174 (E_RNA) where: Base-Base interactions energy: -700.282 where: short stacking energy: -364.384 Base-Backbone interact. energy: -2.728 local terms energy: -473.194679 where: bonds (distance) C4'-P energy: -96.762 bonds (distance) P-C4' energy: -131.464 flat angles C4'-P-C4' energy: -139.974 flat angles P-C4'-P energy: -62.500 tors. eta vs tors. theta energy: -42.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3139.121937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.121937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.121937 (E_RNA) where: Base-Base interactions energy: -2272.639 where: short stacking energy: -932.056 Base-Backbone interact. energy: -3.720 local terms energy: -862.762852 where: bonds (distance) C4'-P energy: -154.479 bonds (distance) P-C4' energy: -148.845 flat angles C4'-P-C4' energy: -182.179 flat angles P-C4'-P energy: -126.853 tors. eta vs tors. theta energy: -250.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2973.352528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.352528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.352528 (E_RNA) where: Base-Base interactions energy: -2105.009 where: short stacking energy: -878.678 Base-Backbone interact. energy: -4.110 local terms energy: -864.233260 where: bonds (distance) C4'-P energy: -146.492 bonds (distance) P-C4' energy: -152.029 flat angles C4'-P-C4' energy: -188.787 flat angles P-C4'-P energy: -134.657 tors. eta vs tors. theta energy: -242.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2885.721887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.721887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.721887 (E_RNA) where: Base-Base interactions energy: -2066.211 where: short stacking energy: -876.419 Base-Backbone interact. energy: -5.750 local terms energy: -813.761090 where: bonds (distance) C4'-P energy: -152.409 bonds (distance) P-C4' energy: -145.535 flat angles C4'-P-C4' energy: -183.578 flat angles P-C4'-P energy: -99.443 tors. eta vs tors. theta energy: -232.796 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: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2760.992412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.992412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.992412 (E_RNA) where: Base-Base interactions energy: -1973.518 where: short stacking energy: -818.724 Base-Backbone interact. energy: -7.288 local terms energy: -780.187124 where: bonds (distance) C4'-P energy: -149.959 bonds (distance) P-C4' energy: -156.432 flat angles C4'-P-C4' energy: -163.013 flat angles P-C4'-P energy: -106.903 tors. eta vs tors. theta energy: -203.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2718.375498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.375498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.375498 (E_RNA) where: Base-Base interactions energy: -1918.320 where: short stacking energy: -790.713 Base-Backbone interact. energy: 0.092 local terms energy: -800.147134 where: bonds (distance) C4'-P energy: -148.443 bonds (distance) P-C4' energy: -138.993 flat angles C4'-P-C4' energy: -177.330 flat angles P-C4'-P energy: -122.042 tors. eta vs tors. theta energy: -213.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2463.579844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.579844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.579844 (E_RNA) where: Base-Base interactions energy: -1752.753 where: short stacking energy: -746.607 Base-Backbone interact. energy: -2.506 local terms energy: -708.320973 where: bonds (distance) C4'-P energy: -106.595 bonds (distance) P-C4' energy: -151.253 flat angles C4'-P-C4' energy: -163.166 flat angles P-C4'-P energy: -102.144 tors. eta vs tors. theta energy: -185.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2312.011807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.011807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.011807 (E_RNA) where: Base-Base interactions energy: -1603.490 where: short stacking energy: -675.639 Base-Backbone interact. energy: -0.381 local terms energy: -708.140288 where: bonds (distance) C4'-P energy: -135.118 bonds (distance) P-C4' energy: -134.712 flat angles C4'-P-C4' energy: -160.005 flat angles P-C4'-P energy: -101.249 tors. eta vs tors. theta energy: -177.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -2095.732233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.732233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.732233 (E_RNA) where: Base-Base interactions energy: -1457.827 where: short stacking energy: -622.766 Base-Backbone interact. energy: -0.838 local terms energy: -637.067960 where: bonds (distance) C4'-P energy: -123.380 bonds (distance) P-C4' energy: -124.890 flat angles C4'-P-C4' energy: -146.096 flat angles P-C4'-P energy: -93.506 tors. eta vs tors. theta energy: -149.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1815.110801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.110801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.110801 (E_RNA) where: Base-Base interactions energy: -1247.231 where: short stacking energy: -551.027 Base-Backbone interact. energy: 1.843 local terms energy: -569.723035 where: bonds (distance) C4'-P energy: -109.270 bonds (distance) P-C4' energy: -125.574 flat angles C4'-P-C4' energy: -128.020 flat angles P-C4'-P energy: -88.304 tors. eta vs tors. theta energy: -118.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1129.131072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.131072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.131072 (E_RNA) where: Base-Base interactions energy: -685.853 where: short stacking energy: -357.239 Base-Backbone interact. energy: 4.729 local terms energy: -448.006258 where: bonds (distance) C4'-P energy: -140.071 bonds (distance) P-C4' energy: -127.729 flat angles C4'-P-C4' energy: -105.668 flat angles P-C4'-P energy: -51.626 tors. eta vs tors. theta energy: -22.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3150.689534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.689534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.689534 (E_RNA) where: Base-Base interactions energy: -2240.566 where: short stacking energy: -928.662 Base-Backbone interact. energy: -6.222 local terms energy: -903.902259 where: bonds (distance) C4'-P energy: -166.161 bonds (distance) P-C4' energy: -156.177 flat angles C4'-P-C4' energy: -199.872 flat angles P-C4'-P energy: -118.233 tors. eta vs tors. theta energy: -263.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2981.061670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.061670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.061670 (E_RNA) where: Base-Base interactions energy: -2094.556 where: short stacking energy: -890.919 Base-Backbone interact. energy: -4.879 local terms energy: -881.627068 where: bonds (distance) C4'-P energy: -160.787 bonds (distance) P-C4' energy: -147.219 flat angles C4'-P-C4' energy: -189.945 flat angles P-C4'-P energy: -134.689 tors. eta vs tors. theta energy: -248.987 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: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2902.549465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.549465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.549465 (E_RNA) where: Base-Base interactions energy: -2076.711 where: short stacking energy: -861.683 Base-Backbone interact. energy: -4.188 local terms energy: -821.650598 where: bonds (distance) C4'-P energy: -151.380 bonds (distance) P-C4' energy: -144.955 flat angles C4'-P-C4' energy: -185.504 flat angles P-C4'-P energy: -117.095 tors. eta vs tors. theta energy: -222.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2715.116948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.116948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.116948 (E_RNA) where: Base-Base interactions energy: -1950.403 where: short stacking energy: -773.962 Base-Backbone interact. energy: -2.282 local terms energy: -762.432105 where: bonds (distance) C4'-P energy: -126.143 bonds (distance) P-C4' energy: -153.737 flat angles C4'-P-C4' energy: -165.426 flat angles P-C4'-P energy: -109.512 tors. eta vs tors. theta energy: -207.614 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: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2691.425916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.425916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.425916 (E_RNA) where: Base-Base interactions energy: -1977.382 where: short stacking energy: -802.525 Base-Backbone interact. energy: 1.342 local terms energy: -715.385259 where: bonds (distance) C4'-P energy: -118.698 bonds (distance) P-C4' energy: -134.443 flat angles C4'-P-C4' energy: -149.718 flat angles P-C4'-P energy: -102.872 tors. eta vs tors. theta energy: -209.653 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: 10 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2546.934695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.934695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.934695 (E_RNA) where: Base-Base interactions energy: -1832.250 where: short stacking energy: -767.518 Base-Backbone interact. energy: -1.637 local terms energy: -713.047448 where: bonds (distance) C4'-P energy: -126.838 bonds (distance) P-C4' energy: -142.014 flat angles C4'-P-C4' energy: -152.291 flat angles P-C4'-P energy: -104.570 tors. eta vs tors. theta energy: -187.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2362.999073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.999073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.999073 (E_RNA) where: Base-Base interactions energy: -1647.169 where: short stacking energy: -710.875 Base-Backbone interact. energy: -3.180 local terms energy: -712.649780 where: bonds (distance) C4'-P energy: -125.406 bonds (distance) P-C4' energy: -130.045 flat angles C4'-P-C4' energy: -154.460 flat angles P-C4'-P energy: -102.079 tors. eta vs tors. theta energy: -200.660 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: 6 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -2065.059167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.059167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.059167 (E_RNA) where: Base-Base interactions energy: -1438.360 where: short stacking energy: -595.498 Base-Backbone interact. energy: -2.640 local terms energy: -624.059491 where: bonds (distance) C4'-P energy: -120.096 bonds (distance) P-C4' energy: -136.406 flat angles C4'-P-C4' energy: -137.770 flat angles P-C4'-P energy: -81.683 tors. eta vs tors. theta energy: -148.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1789.733347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.733347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.733347 (E_RNA) where: Base-Base interactions energy: -1208.429 where: short stacking energy: -546.305 Base-Backbone interact. energy: 10.813 local terms energy: -592.117395 where: bonds (distance) C4'-P energy: -116.655 bonds (distance) P-C4' energy: -131.956 flat angles C4'-P-C4' energy: -159.796 flat angles P-C4'-P energy: -75.885 tors. eta vs tors. theta energy: -107.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1099.652653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.652653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.652653 (E_RNA) where: Base-Base interactions energy: -648.131 where: short stacking energy: -327.783 Base-Backbone interact. energy: 1.568 local terms energy: -453.089609 where: bonds (distance) C4'-P energy: -143.442 bonds (distance) P-C4' energy: -131.570 flat angles C4'-P-C4' energy: -111.140 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -17.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3128.563367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.563367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.563367 (E_RNA) where: Base-Base interactions energy: -2263.118 where: short stacking energy: -940.372 Base-Backbone interact. energy: 2.434 local terms energy: -867.879988 where: bonds (distance) C4'-P energy: -168.085 bonds (distance) P-C4' energy: -151.523 flat angles C4'-P-C4' energy: -179.838 flat angles P-C4'-P energy: -111.361 tors. eta vs tors. theta energy: -257.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2995.976119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.976119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.976119 (E_RNA) where: Base-Base interactions energy: -2140.573 where: short stacking energy: -892.581 Base-Backbone interact. energy: -1.210 local terms energy: -854.193547 where: bonds (distance) C4'-P energy: -151.783 bonds (distance) P-C4' energy: -148.073 flat angles C4'-P-C4' energy: -177.747 flat angles P-C4'-P energy: -121.267 tors. eta vs tors. theta energy: -255.323 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: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2868.476762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.476762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.476762 (E_RNA) where: Base-Base interactions energy: -2047.851 where: short stacking energy: -857.551 Base-Backbone interact. energy: 2.240 local terms energy: -822.866127 where: bonds (distance) C4'-P energy: -156.755 bonds (distance) P-C4' energy: -149.166 flat angles C4'-P-C4' energy: -172.613 flat angles P-C4'-P energy: -115.325 tors. eta vs tors. theta energy: -229.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2726.957803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.957803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.957803 (E_RNA) where: Base-Base interactions energy: -1965.810 where: short stacking energy: -780.937 Base-Backbone interact. energy: -1.849 local terms energy: -759.298685 where: bonds (distance) C4'-P energy: -144.923 bonds (distance) P-C4' energy: -141.216 flat angles C4'-P-C4' energy: -156.736 flat angles P-C4'-P energy: -115.104 tors. eta vs tors. theta energy: -201.319 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: 470 Temperature: 1.100000 Total energy: -2634.957201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.957201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.957201 (E_RNA) where: Base-Base interactions energy: -1894.741 where: short stacking energy: -749.959 Base-Backbone interact. energy: -4.502 local terms energy: -735.714280 where: bonds (distance) C4'-P energy: -134.282 bonds (distance) P-C4' energy: -130.718 flat angles C4'-P-C4' energy: -171.180 flat angles P-C4'-P energy: -106.987 tors. eta vs tors. theta energy: -192.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2489.067137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.067137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.067137 (E_RNA) where: Base-Base interactions energy: -1771.569 where: short stacking energy: -722.717 Base-Backbone interact. energy: -3.292 local terms energy: -714.206027 where: bonds (distance) C4'-P energy: -129.898 bonds (distance) P-C4' energy: -145.573 flat angles C4'-P-C4' energy: -157.586 flat angles P-C4'-P energy: -97.466 tors. eta vs tors. theta energy: -183.683 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: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2339.022716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.022716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.022716 (E_RNA) where: Base-Base interactions energy: -1648.922 where: short stacking energy: -714.847 Base-Backbone interact. energy: 0.566 local terms energy: -690.666462 where: bonds (distance) C4'-P energy: -131.354 bonds (distance) P-C4' energy: -124.768 flat angles C4'-P-C4' energy: -147.440 flat angles P-C4'-P energy: -90.207 tors. eta vs tors. theta energy: -196.897 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: 470 Temperature: 1.250000 Total energy: -2096.553904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.553904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.553904 (E_RNA) where: Base-Base interactions energy: -1444.820 where: short stacking energy: -635.090 Base-Backbone interact. energy: -7.884 local terms energy: -643.849505 where: bonds (distance) C4'-P energy: -117.649 bonds (distance) P-C4' energy: -137.888 flat angles C4'-P-C4' energy: -156.069 flat angles P-C4'-P energy: -82.604 tors. eta vs tors. theta energy: -149.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1765.626576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.626576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.626576 (E_RNA) where: Base-Base interactions energy: -1133.983 where: short stacking energy: -515.705 Base-Backbone interact. energy: 1.411 local terms energy: -633.054594 where: bonds (distance) C4'-P energy: -143.269 bonds (distance) P-C4' energy: -140.994 flat angles C4'-P-C4' energy: -139.616 flat angles P-C4'-P energy: -94.283 tors. eta vs tors. theta energy: -114.893 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: 470 Temperature: 1.350000 Total energy: -1108.856592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.856592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.856592 (E_RNA) where: Base-Base interactions energy: -664.514 where: short stacking energy: -350.735 Base-Backbone interact. energy: 0.782 local terms energy: -445.124079 where: bonds (distance) C4'-P energy: -117.869 bonds (distance) P-C4' energy: -139.731 flat angles C4'-P-C4' energy: -104.487 flat angles P-C4'-P energy: -49.644 tors. eta vs tors. theta energy: -33.392 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: 471 Temperature: 0.900000 Total energy: -3124.014712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.014712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.014712 (E_RNA) where: Base-Base interactions energy: -2242.687 where: short stacking energy: -927.582 Base-Backbone interact. energy: -1.846 local terms energy: -879.482049 where: bonds (distance) C4'-P energy: -152.196 bonds (distance) P-C4' energy: -156.794 flat angles C4'-P-C4' energy: -195.430 flat angles P-C4'-P energy: -119.921 tors. eta vs tors. theta energy: -255.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -3009.276019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.276019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.276019 (E_RNA) where: Base-Base interactions energy: -2129.114 where: short stacking energy: -900.842 Base-Backbone interact. energy: -3.982 local terms energy: -876.180283 where: bonds (distance) C4'-P energy: -165.011 bonds (distance) P-C4' energy: -155.992 flat angles C4'-P-C4' energy: -182.844 flat angles P-C4'-P energy: -122.867 tors. eta vs tors. theta energy: -249.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2881.486803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.486803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.486803 (E_RNA) where: Base-Base interactions energy: -2089.683 where: short stacking energy: -849.241 Base-Backbone interact. energy: -0.602 local terms energy: -791.200934 where: bonds (distance) C4'-P energy: -161.214 bonds (distance) P-C4' energy: -133.257 flat angles C4'-P-C4' energy: -165.414 flat angles P-C4'-P energy: -106.385 tors. eta vs tors. theta energy: -224.930 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: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2753.439761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.439761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.439761 (E_RNA) where: Base-Base interactions energy: -1945.593 where: short stacking energy: -788.287 Base-Backbone interact. energy: -1.268 local terms energy: -806.578879 where: bonds (distance) C4'-P energy: -148.264 bonds (distance) P-C4' energy: -149.380 flat angles C4'-P-C4' energy: -175.429 flat angles P-C4'-P energy: -109.234 tors. eta vs tors. theta energy: -224.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2658.100647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.100647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.100647 (E_RNA) where: Base-Base interactions energy: -1895.620 where: short stacking energy: -786.582 Base-Backbone interact. energy: -0.223 local terms energy: -762.257642 where: bonds (distance) C4'-P energy: -130.099 bonds (distance) P-C4' energy: -152.897 flat angles C4'-P-C4' energy: -171.514 flat angles P-C4'-P energy: -105.982 tors. eta vs tors. theta energy: -201.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2567.987891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.987891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.987891 (E_RNA) where: Base-Base interactions energy: -1834.408 where: short stacking energy: -745.575 Base-Backbone interact. energy: -3.001 local terms energy: -730.578992 where: bonds (distance) C4'-P energy: -145.921 bonds (distance) P-C4' energy: -131.345 flat angles C4'-P-C4' energy: -165.688 flat angles P-C4'-P energy: -91.300 tors. eta vs tors. theta energy: -196.326 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: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2360.362629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.362629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.362629 (E_RNA) where: Base-Base interactions energy: -1677.621 where: short stacking energy: -686.947 Base-Backbone interact. energy: -3.282 local terms energy: -679.459765 where: bonds (distance) C4'-P energy: -123.029 bonds (distance) P-C4' energy: -126.775 flat angles C4'-P-C4' energy: -154.396 flat angles P-C4'-P energy: -92.087 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: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -2077.895495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.895495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.895495 (E_RNA) where: Base-Base interactions energy: -1454.721 where: short stacking energy: -629.490 Base-Backbone interact. energy: -4.387 local terms energy: -618.787967 where: bonds (distance) C4'-P energy: -117.800 bonds (distance) P-C4' energy: -124.244 flat angles C4'-P-C4' energy: -127.898 flat angles P-C4'-P energy: -85.713 tors. eta vs tors. theta energy: -163.133 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: 9, replica: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1706.631711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.631711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.631711 (E_RNA) where: Base-Base interactions energy: -1156.002 where: short stacking energy: -518.965 Base-Backbone interact. energy: 0.944 local terms energy: -551.573311 where: bonds (distance) C4'-P energy: -104.863 bonds (distance) P-C4' energy: -128.763 flat angles C4'-P-C4' energy: -145.801 flat angles P-C4'-P energy: -83.216 tors. eta vs tors. theta energy: -88.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1182.846053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.846053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.846053 (E_RNA) where: Base-Base interactions energy: -704.467 where: short stacking energy: -344.708 Base-Backbone interact. energy: 11.166 local terms energy: -489.544712 where: bonds (distance) C4'-P energy: -137.188 bonds (distance) P-C4' energy: -146.706 flat angles C4'-P-C4' energy: -100.098 flat angles P-C4'-P energy: -66.977 tors. eta vs tors. theta energy: -38.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3148.284350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.284350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.284350 (E_RNA) where: Base-Base interactions energy: -2265.579 where: short stacking energy: -923.677 Base-Backbone interact. energy: 6.507 local terms energy: -889.212662 where: bonds (distance) C4'-P energy: -142.984 bonds (distance) P-C4' energy: -156.906 flat angles C4'-P-C4' energy: -200.265 flat angles P-C4'-P energy: -128.403 tors. eta vs tors. theta energy: -260.655 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: 1 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -3000.357486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.357486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.357486 (E_RNA) where: Base-Base interactions energy: -2129.768 where: short stacking energy: -892.611 Base-Backbone interact. energy: -1.704 local terms energy: -868.885481 where: bonds (distance) C4'-P energy: -139.222 bonds (distance) P-C4' energy: -160.147 flat angles C4'-P-C4' energy: -191.647 flat angles P-C4'-P energy: -123.713 tors. eta vs tors. theta energy: -254.157 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: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2895.652951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.652951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.652951 (E_RNA) where: Base-Base interactions energy: -2095.142 where: short stacking energy: -841.547 Base-Backbone interact. energy: 3.775 local terms energy: -804.286739 where: bonds (distance) C4'-P energy: -137.922 bonds (distance) P-C4' energy: -156.656 flat angles C4'-P-C4' energy: -172.910 flat angles P-C4'-P energy: -110.558 tors. eta vs tors. theta energy: -226.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2754.778389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.778389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.778389 (E_RNA) where: Base-Base interactions energy: -1988.599 where: short stacking energy: -804.081 Base-Backbone interact. energy: -5.485 local terms energy: -760.694336 where: bonds (distance) C4'-P energy: -130.741 bonds (distance) P-C4' energy: -148.883 flat angles C4'-P-C4' energy: -175.541 flat angles P-C4'-P energy: -100.276 tors. eta vs tors. theta energy: -205.254 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: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2628.814131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.814131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.814131 (E_RNA) where: Base-Base interactions energy: -1885.653 where: short stacking energy: -766.714 Base-Backbone interact. energy: -4.629 local terms energy: -738.532378 where: bonds (distance) C4'-P energy: -123.873 bonds (distance) P-C4' energy: -145.952 flat angles C4'-P-C4' energy: -172.032 flat angles P-C4'-P energy: -103.572 tors. eta vs tors. theta energy: -193.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2487.992615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.992615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.992615 (E_RNA) where: Base-Base interactions energy: -1782.196 where: short stacking energy: -748.100 Base-Backbone interact. energy: -5.214 local terms energy: -700.582744 where: bonds (distance) C4'-P energy: -142.027 bonds (distance) P-C4' energy: -147.351 flat angles C4'-P-C4' energy: -152.875 flat angles P-C4'-P energy: -73.071 tors. eta vs tors. theta energy: -185.258 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: 4 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2266.411201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.411201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.411201 (E_RNA) where: Base-Base interactions energy: -1600.435 where: short stacking energy: -665.604 Base-Backbone interact. energy: -3.597 local terms energy: -662.379088 where: bonds (distance) C4'-P energy: -144.711 bonds (distance) P-C4' energy: -115.825 flat angles C4'-P-C4' energy: -137.377 flat angles P-C4'-P energy: -102.248 tors. eta vs tors. theta energy: -162.217 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: 472 Temperature: 1.250000 Total energy: -2101.895099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.895099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.895099 (E_RNA) where: Base-Base interactions energy: -1446.581 where: short stacking energy: -631.225 Base-Backbone interact. energy: 0.156 local terms energy: -655.470351 where: bonds (distance) C4'-P energy: -138.086 bonds (distance) P-C4' energy: -136.520 flat angles C4'-P-C4' energy: -150.747 flat angles P-C4'-P energy: -85.108 tors. eta vs tors. theta energy: -145.009 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: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1761.838191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.838191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.838191 (E_RNA) where: Base-Base interactions energy: -1216.794 where: short stacking energy: -552.423 Base-Backbone interact. energy: 7.725 local terms energy: -552.768979 where: bonds (distance) C4'-P energy: -125.555 bonds (distance) P-C4' energy: -128.875 flat angles C4'-P-C4' energy: -124.191 flat angles P-C4'-P energy: -76.714 tors. eta vs tors. theta energy: -97.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1203.862955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.862955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.862955 (E_RNA) where: Base-Base interactions energy: -733.719 where: short stacking energy: -394.901 Base-Backbone interact. energy: 1.041 local terms energy: -471.185139 where: bonds (distance) C4'-P energy: -122.054 bonds (distance) P-C4' energy: -148.793 flat angles C4'-P-C4' energy: -92.724 flat angles P-C4'-P energy: -59.799 tors. eta vs tors. theta energy: -47.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3120.023470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.023470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.023470 (E_RNA) where: Base-Base interactions energy: -2250.402 where: short stacking energy: -924.356 Base-Backbone interact. energy: 2.093 local terms energy: -871.714319 where: bonds (distance) C4'-P energy: -145.180 bonds (distance) P-C4' energy: -163.375 flat angles C4'-P-C4' energy: -198.087 flat angles P-C4'-P energy: -112.149 tors. eta vs tors. theta energy: -252.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2964.574744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.574744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.574744 (E_RNA) where: Base-Base interactions energy: -2109.286 where: short stacking energy: -878.735 Base-Backbone interact. energy: -1.605 local terms energy: -853.683379 where: bonds (distance) C4'-P energy: -162.556 bonds (distance) P-C4' energy: -149.946 flat angles C4'-P-C4' energy: -175.505 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -255.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2869.716771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.716771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.716771 (E_RNA) where: Base-Base interactions energy: -2062.458 where: short stacking energy: -828.540 Base-Backbone interact. energy: 3.650 local terms energy: -810.908349 where: bonds (distance) C4'-P energy: -158.206 bonds (distance) P-C4' energy: -158.531 flat angles C4'-P-C4' energy: -170.531 flat angles P-C4'-P energy: -110.158 tors. eta vs tors. theta energy: -213.482 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: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2751.233338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.233338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.233338 (E_RNA) where: Base-Base interactions energy: -1984.986 where: short stacking energy: -779.221 Base-Backbone interact. energy: -4.089 local terms energy: -762.158145 where: bonds (distance) C4'-P energy: -148.280 bonds (distance) P-C4' energy: -149.735 flat angles C4'-P-C4' energy: -161.840 flat angles P-C4'-P energy: -101.394 tors. eta vs tors. theta energy: -200.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2637.470818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.470818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.470818 (E_RNA) where: Base-Base interactions energy: -1867.191 where: short stacking energy: -789.152 Base-Backbone interact. energy: -0.448 local terms energy: -769.831850 where: bonds (distance) C4'-P energy: -137.551 bonds (distance) P-C4' energy: -144.258 flat angles C4'-P-C4' energy: -172.737 flat angles P-C4'-P energy: -109.779 tors. eta vs tors. theta energy: -205.506 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: 10 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2486.115521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.115521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.115521 (E_RNA) where: Base-Base interactions energy: -1806.839 where: short stacking energy: -766.231 Base-Backbone interact. energy: -1.056 local terms energy: -678.220454 where: bonds (distance) C4'-P energy: -118.420 bonds (distance) P-C4' energy: -117.631 flat angles C4'-P-C4' energy: -158.556 flat angles P-C4'-P energy: -90.483 tors. eta vs tors. theta energy: -193.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2318.143234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.143234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.143234 (E_RNA) where: Base-Base interactions energy: -1622.973 where: short stacking energy: -699.871 Base-Backbone interact. energy: -1.700 local terms energy: -693.469962 where: bonds (distance) C4'-P energy: -130.990 bonds (distance) P-C4' energy: -133.842 flat angles C4'-P-C4' energy: -143.339 flat angles P-C4'-P energy: -102.317 tors. eta vs tors. theta energy: -182.983 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: 8, replica: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -2095.165109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.165109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.165109 (E_RNA) where: Base-Base interactions energy: -1475.789 where: short stacking energy: -614.159 Base-Backbone interact. energy: 0.282 local terms energy: -619.657931 where: bonds (distance) C4'-P energy: -122.901 bonds (distance) P-C4' energy: -122.800 flat angles C4'-P-C4' energy: -137.188 flat angles P-C4'-P energy: -94.168 tors. eta vs tors. theta energy: -142.601 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: 473 Temperature: 1.300000 Total energy: -1775.779532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.779532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.779532 (E_RNA) where: Base-Base interactions energy: -1221.373 where: short stacking energy: -539.686 Base-Backbone interact. energy: 0.790 local terms energy: -555.196752 where: bonds (distance) C4'-P energy: -118.142 bonds (distance) P-C4' energy: -133.869 flat angles C4'-P-C4' energy: -138.009 flat angles P-C4'-P energy: -59.527 tors. eta vs tors. theta energy: -105.650 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: 10, replica: 8 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1148.776072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.776072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.776072 (E_RNA) where: Base-Base interactions energy: -707.392 where: short stacking energy: -344.480 Base-Backbone interact. energy: 2.238 local terms energy: -443.621776 where: bonds (distance) C4'-P energy: -110.087 bonds (distance) P-C4' energy: -119.750 flat angles C4'-P-C4' energy: -101.624 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -45.172 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: 1, replica: 7 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3120.814129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.814129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.814129 (E_RNA) where: Base-Base interactions energy: -2237.382 where: short stacking energy: -923.239 Base-Backbone interact. energy: -1.746 local terms energy: -881.685439 where: bonds (distance) C4'-P energy: -159.559 bonds (distance) P-C4' energy: -164.359 flat angles C4'-P-C4' energy: -183.987 flat angles P-C4'-P energy: -120.763 tors. eta vs tors. theta energy: -253.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -3000.787710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.787710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.787710 (E_RNA) where: Base-Base interactions energy: -2115.547 where: short stacking energy: -891.422 Base-Backbone interact. energy: -2.643 local terms energy: -882.598215 where: bonds (distance) C4'-P energy: -162.864 bonds (distance) P-C4' energy: -154.909 flat angles C4'-P-C4' energy: -187.416 flat angles P-C4'-P energy: -127.864 tors. eta vs tors. theta energy: -249.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2939.894007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.894007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.894007 (E_RNA) where: Base-Base interactions energy: -2108.600 where: short stacking energy: -851.787 Base-Backbone interact. energy: -2.134 local terms energy: -829.160478 where: bonds (distance) C4'-P energy: -169.176 bonds (distance) P-C4' energy: -140.144 flat angles C4'-P-C4' energy: -167.225 flat angles P-C4'-P energy: -117.426 tors. eta vs tors. theta energy: -235.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2780.969331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.969331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.969331 (E_RNA) where: Base-Base interactions energy: -2034.236 where: short stacking energy: -809.575 Base-Backbone interact. energy: -3.515 local terms energy: -743.218460 where: bonds (distance) C4'-P energy: -133.223 bonds (distance) P-C4' energy: -133.377 flat angles C4'-P-C4' energy: -169.649 flat angles P-C4'-P energy: -102.201 tors. eta vs tors. theta energy: -204.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2641.023964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.023964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.023964 (E_RNA) where: Base-Base interactions energy: -1902.120 where: short stacking energy: -809.577 Base-Backbone interact. energy: 1.293 local terms energy: -740.197160 where: bonds (distance) C4'-P energy: -136.401 bonds (distance) P-C4' energy: -137.624 flat angles C4'-P-C4' energy: -157.426 flat angles P-C4'-P energy: -109.708 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: 6, replica: 10 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2503.662464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.662464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.662464 (E_RNA) where: Base-Base interactions energy: -1808.876 where: short stacking energy: -747.584 Base-Backbone interact. energy: -0.771 local terms energy: -694.015559 where: bonds (distance) C4'-P energy: -118.580 bonds (distance) P-C4' energy: -133.211 flat angles C4'-P-C4' energy: -162.324 flat angles P-C4'-P energy: -96.790 tors. eta vs tors. theta energy: -183.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2365.865172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.865172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.865172 (E_RNA) where: Base-Base interactions energy: -1695.521 where: short stacking energy: -727.071 Base-Backbone interact. energy: -5.809 local terms energy: -664.534934 where: bonds (distance) C4'-P energy: -109.442 bonds (distance) P-C4' energy: -107.130 flat angles C4'-P-C4' energy: -163.329 flat angles P-C4'-P energy: -96.372 tors. eta vs tors. theta energy: -188.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -2134.157889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.157889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.157889 (E_RNA) where: Base-Base interactions energy: -1482.779 where: short stacking energy: -632.830 Base-Backbone interact. energy: -5.222 local terms energy: -646.157350 where: bonds (distance) C4'-P energy: -133.776 bonds (distance) P-C4' energy: -132.555 flat angles C4'-P-C4' energy: -141.441 flat angles P-C4'-P energy: -90.432 tors. eta vs tors. theta energy: -147.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1801.340823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.340823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.340823 (E_RNA) where: Base-Base interactions energy: -1199.721 where: short stacking energy: -537.276 Base-Backbone interact. energy: -2.858 local terms energy: -598.761589 where: bonds (distance) C4'-P energy: -131.902 bonds (distance) P-C4' energy: -129.634 flat angles C4'-P-C4' energy: -155.816 flat angles P-C4'-P energy: -82.230 tors. eta vs tors. theta energy: -99.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1128.003894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.003894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.003894 (E_RNA) where: Base-Base interactions energy: -700.481 where: short stacking energy: -366.392 Base-Backbone interact. energy: 3.012 local terms energy: -430.534252 where: bonds (distance) C4'-P energy: -113.785 bonds (distance) P-C4' energy: -125.563 flat angles C4'-P-C4' energy: -111.209 flat angles P-C4'-P energy: -45.202 tors. eta vs tors. theta energy: -34.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3125.722454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.722454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.722454 (E_RNA) where: Base-Base interactions energy: -2256.330 where: short stacking energy: -919.407 Base-Backbone interact. energy: -4.041 local terms energy: -865.352066 where: bonds (distance) C4'-P energy: -150.346 bonds (distance) P-C4' energy: -159.616 flat angles C4'-P-C4' energy: -191.065 flat angles P-C4'-P energy: -110.519 tors. eta vs tors. theta energy: -253.807 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: 2, replica: 1 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2989.964054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.964054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.964054 (E_RNA) where: Base-Base interactions energy: -2119.887 where: short stacking energy: -870.364 Base-Backbone interact. energy: -4.591 local terms energy: -865.486090 where: bonds (distance) C4'-P energy: -160.863 bonds (distance) P-C4' energy: -158.718 flat angles C4'-P-C4' energy: -176.175 flat angles P-C4'-P energy: -118.954 tors. eta vs tors. theta energy: -250.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2928.437636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.437636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.437636 (E_RNA) where: Base-Base interactions energy: -2123.345 where: short stacking energy: -854.223 Base-Backbone interact. energy: -1.704 local terms energy: -803.388376 where: bonds (distance) C4'-P energy: -127.054 bonds (distance) P-C4' energy: -160.985 flat angles C4'-P-C4' energy: -180.132 flat angles P-C4'-P energy: -103.399 tors. eta vs tors. theta energy: -231.817 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: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2765.406395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.406395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.406395 (E_RNA) where: Base-Base interactions energy: -1998.839 where: short stacking energy: -776.615 Base-Backbone interact. energy: -1.687 local terms energy: -764.880139 where: bonds (distance) C4'-P energy: -123.293 bonds (distance) P-C4' energy: -158.765 flat angles C4'-P-C4' energy: -171.477 flat angles P-C4'-P energy: -105.406 tors. eta vs tors. theta energy: -205.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2648.825365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.825365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.825365 (E_RNA) where: Base-Base interactions energy: -1865.791 where: short stacking energy: -776.777 Base-Backbone interact. energy: -2.146 local terms energy: -780.888535 where: bonds (distance) C4'-P energy: -148.079 bonds (distance) P-C4' energy: -139.891 flat angles C4'-P-C4' energy: -177.592 flat angles P-C4'-P energy: -125.755 tors. eta vs tors. theta energy: -189.571 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: 475 Temperature: 1.150000 Total energy: -2470.189940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.189940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.189940 (E_RNA) where: Base-Base interactions energy: -1742.416 where: short stacking energy: -714.959 Base-Backbone interact. energy: -2.718 local terms energy: -725.056293 where: bonds (distance) C4'-P energy: -140.106 bonds (distance) P-C4' energy: -130.718 flat angles C4'-P-C4' energy: -168.110 flat angles P-C4'-P energy: -97.564 tors. eta vs tors. theta energy: -188.558 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: 4 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2403.456104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.456104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.456104 (E_RNA) where: Base-Base interactions energy: -1683.736 where: short stacking energy: -725.111 Base-Backbone interact. energy: -4.728 local terms energy: -714.991590 where: bonds (distance) C4'-P energy: -138.434 bonds (distance) P-C4' energy: -138.667 flat angles C4'-P-C4' energy: -145.011 flat angles P-C4'-P energy: -108.926 tors. eta vs tors. theta energy: -183.953 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: 475 Temperature: 1.250000 Total energy: -2160.462666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.462666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.462666 (E_RNA) where: Base-Base interactions energy: -1483.506 where: short stacking energy: -642.954 Base-Backbone interact. energy: -2.554 local terms energy: -674.403380 where: bonds (distance) C4'-P energy: -138.551 bonds (distance) P-C4' energy: -151.647 flat angles C4'-P-C4' energy: -135.467 flat angles P-C4'-P energy: -92.148 tors. eta vs tors. theta energy: -156.591 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: 9 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1865.818699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.818699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.818699 (E_RNA) where: Base-Base interactions energy: -1310.006 where: short stacking energy: -539.459 Base-Backbone interact. energy: -1.654 local terms energy: -554.158924 where: bonds (distance) C4'-P energy: -118.072 bonds (distance) P-C4' energy: -121.885 flat angles C4'-P-C4' energy: -138.968 flat angles P-C4'-P energy: -86.401 tors. eta vs tors. theta energy: -88.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -1143.397437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.397437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.397437 (E_RNA) where: Base-Base interactions energy: -687.062 where: short stacking energy: -321.053 Base-Backbone interact. energy: -2.610 local terms energy: -453.725060 where: bonds (distance) C4'-P energy: -119.532 bonds (distance) P-C4' energy: -115.969 flat angles C4'-P-C4' energy: -102.403 flat angles P-C4'-P energy: -87.139 tors. eta vs tors. theta energy: -28.683 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: 476 Temperature: 0.900000 Total energy: -3136.895431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.895431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.895431 (E_RNA) where: Base-Base interactions energy: -2242.573 where: short stacking energy: -912.928 Base-Backbone interact. energy: 1.663 local terms energy: -895.984757 where: bonds (distance) C4'-P energy: -163.730 bonds (distance) P-C4' energy: -167.301 flat angles C4'-P-C4' energy: -179.921 flat angles P-C4'-P energy: -130.574 tors. eta vs tors. theta energy: -254.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2985.392293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.392293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.392293 (E_RNA) where: Base-Base interactions energy: -2121.097 where: short stacking energy: -912.948 Base-Backbone interact. energy: -2.615 local terms energy: -861.680738 where: bonds (distance) C4'-P energy: -143.628 bonds (distance) P-C4' energy: -151.652 flat angles C4'-P-C4' energy: -175.038 flat angles P-C4'-P energy: -138.046 tors. eta vs tors. theta energy: -253.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2922.599820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.599820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.599820 (E_RNA) where: Base-Base interactions energy: -2141.711 where: short stacking energy: -857.400 Base-Backbone interact. energy: -2.518 local terms energy: -778.370840 where: bonds (distance) C4'-P energy: -148.812 bonds (distance) P-C4' energy: -139.841 flat angles C4'-P-C4' energy: -169.750 flat angles P-C4'-P energy: -104.510 tors. eta vs tors. theta energy: -215.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2750.260633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.260633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.260633 (E_RNA) where: Base-Base interactions energy: -2001.148 where: short stacking energy: -803.003 Base-Backbone interact. energy: -4.913 local terms energy: -744.199452 where: bonds (distance) C4'-P energy: -121.668 bonds (distance) P-C4' energy: -155.647 flat angles C4'-P-C4' energy: -166.725 flat angles P-C4'-P energy: -95.016 tors. eta vs tors. theta energy: -205.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2632.510490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.510490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.510490 (E_RNA) where: Base-Base interactions energy: -1882.071 where: short stacking energy: -768.926 Base-Backbone interact. energy: 0.353 local terms energy: -750.792235 where: bonds (distance) C4'-P energy: -150.122 bonds (distance) P-C4' energy: -138.303 flat angles C4'-P-C4' energy: -171.596 flat angles P-C4'-P energy: -102.940 tors. eta vs tors. theta energy: -187.832 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: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2463.560339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.560339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.560339 (E_RNA) where: Base-Base interactions energy: -1764.168 where: short stacking energy: -728.492 Base-Backbone interact. energy: -1.864 local terms energy: -697.527987 where: bonds (distance) C4'-P energy: -129.895 bonds (distance) P-C4' energy: -133.441 flat angles C4'-P-C4' energy: -162.759 flat angles P-C4'-P energy: -90.394 tors. eta vs tors. theta energy: -181.039 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: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2406.617407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.617407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.617407 (E_RNA) where: Base-Base interactions energy: -1686.133 where: short stacking energy: -701.576 Base-Backbone interact. energy: -0.352 local terms energy: -720.133101 where: bonds (distance) C4'-P energy: -144.616 bonds (distance) P-C4' energy: -136.478 flat angles C4'-P-C4' energy: -141.302 flat angles P-C4'-P energy: -103.212 tors. eta vs tors. theta energy: -194.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -2159.165322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.165322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.165322 (E_RNA) where: Base-Base interactions energy: -1499.132 where: short stacking energy: -653.906 Base-Backbone interact. energy: -2.775 local terms energy: -657.257966 where: bonds (distance) C4'-P energy: -115.767 bonds (distance) P-C4' energy: -141.933 flat angles C4'-P-C4' energy: -146.352 flat angles P-C4'-P energy: -93.701 tors. eta vs tors. theta energy: -159.505 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: 9, replica: 9 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1853.814258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.814258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.814258 (E_RNA) where: Base-Base interactions energy: -1257.407 where: short stacking energy: -547.552 Base-Backbone interact. energy: 1.904 local terms energy: -598.311652 where: bonds (distance) C4'-P energy: -113.905 bonds (distance) P-C4' energy: -130.647 flat angles C4'-P-C4' energy: -140.628 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -108.697 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: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1281.411715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.411715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.411715 (E_RNA) where: Base-Base interactions energy: -771.416 where: short stacking energy: -391.028 Base-Backbone interact. energy: -1.796 local terms energy: -508.199992 where: bonds (distance) C4'-P energy: -123.409 bonds (distance) P-C4' energy: -112.619 flat angles C4'-P-C4' energy: -121.902 flat angles P-C4'-P energy: -80.332 tors. eta vs tors. theta energy: -69.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3137.198349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.198349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.198349 (E_RNA) where: Base-Base interactions energy: -2268.219 where: short stacking energy: -942.655 Base-Backbone interact. energy: -4.286 local terms energy: -864.693887 where: bonds (distance) C4'-P energy: -145.774 bonds (distance) P-C4' energy: -160.461 flat angles C4'-P-C4' energy: -189.370 flat angles P-C4'-P energy: -117.519 tors. eta vs tors. theta energy: -251.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -3020.884676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.884676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.884676 (E_RNA) where: Base-Base interactions energy: -2140.325 where: short stacking energy: -903.311 Base-Backbone interact. energy: 2.100 local terms energy: -882.659379 where: bonds (distance) C4'-P energy: -153.705 bonds (distance) P-C4' energy: -153.993 flat angles C4'-P-C4' energy: -190.299 flat angles P-C4'-P energy: -130.058 tors. eta vs tors. theta energy: -254.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2892.252575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.252575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.252575 (E_RNA) where: Base-Base interactions energy: -2090.850 where: short stacking energy: -846.426 Base-Backbone interact. energy: -5.173 local terms energy: -796.229554 where: bonds (distance) C4'-P energy: -142.806 bonds (distance) P-C4' energy: -137.451 flat angles C4'-P-C4' energy: -187.808 flat angles P-C4'-P energy: -111.909 tors. eta vs tors. theta energy: -216.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2780.542727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.542727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.542727 (E_RNA) where: Base-Base interactions energy: -2003.550 where: short stacking energy: -776.753 Base-Backbone interact. energy: -1.210 local terms energy: -775.782850 where: bonds (distance) C4'-P energy: -150.361 bonds (distance) P-C4' energy: -139.301 flat angles C4'-P-C4' energy: -175.858 flat angles P-C4'-P energy: -107.972 tors. eta vs tors. theta energy: -202.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2664.666701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.666701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.666701 (E_RNA) where: Base-Base interactions energy: -1924.945 where: short stacking energy: -793.130 Base-Backbone interact. energy: 0.821 local terms energy: -740.542909 where: bonds (distance) C4'-P energy: -124.018 bonds (distance) P-C4' energy: -156.549 flat angles C4'-P-C4' energy: -165.121 flat angles P-C4'-P energy: -96.223 tors. eta vs tors. theta energy: -198.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2458.205482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.205482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.205482 (E_RNA) where: Base-Base interactions energy: -1767.383 where: short stacking energy: -737.445 Base-Backbone interact. energy: -0.549 local terms energy: -690.273783 where: bonds (distance) C4'-P energy: -126.343 bonds (distance) P-C4' energy: -131.331 flat angles C4'-P-C4' energy: -159.157 flat angles P-C4'-P energy: -94.125 tors. eta vs tors. theta energy: -179.318 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: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2357.449495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.449495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.449495 (E_RNA) where: Base-Base interactions energy: -1645.204 where: short stacking energy: -685.498 Base-Backbone interact. energy: -4.332 local terms energy: -707.913113 where: bonds (distance) C4'-P energy: -134.508 bonds (distance) P-C4' energy: -146.116 flat angles C4'-P-C4' energy: -157.242 flat angles P-C4'-P energy: -92.763 tors. eta vs tors. theta energy: -177.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -2135.288276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.288276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.288276 (E_RNA) where: Base-Base interactions energy: -1483.341 where: short stacking energy: -641.167 Base-Backbone interact. energy: 0.129 local terms energy: -652.076726 where: bonds (distance) C4'-P energy: -134.645 bonds (distance) P-C4' energy: -124.271 flat angles C4'-P-C4' energy: -133.243 flat angles P-C4'-P energy: -109.588 tors. eta vs tors. theta energy: -150.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1851.629854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.629854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.629854 (E_RNA) where: Base-Base interactions energy: -1273.680 where: short stacking energy: -537.991 Base-Backbone interact. energy: -0.717 local terms energy: -577.232029 where: bonds (distance) C4'-P energy: -113.390 bonds (distance) P-C4' energy: -130.672 flat angles C4'-P-C4' energy: -132.810 flat angles P-C4'-P energy: -87.830 tors. eta vs tors. theta energy: -112.530 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: 477 Temperature: 1.350000 Total energy: -1333.131961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.131961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.131961 (E_RNA) where: Base-Base interactions energy: -841.567 where: short stacking energy: -409.313 Base-Backbone interact. energy: 2.237 local terms energy: -493.801173 where: bonds (distance) C4'-P energy: -124.995 bonds (distance) P-C4' energy: -132.702 flat angles C4'-P-C4' energy: -124.174 flat angles P-C4'-P energy: -48.015 tors. eta vs tors. theta energy: -63.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3140.288887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.288887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.288887 (E_RNA) where: Base-Base interactions energy: -2261.224 where: short stacking energy: -937.486 Base-Backbone interact. energy: -5.841 local terms energy: -873.224114 where: bonds (distance) C4'-P energy: -158.565 bonds (distance) P-C4' energy: -149.867 flat angles C4'-P-C4' energy: -186.189 flat angles P-C4'-P energy: -124.355 tors. eta vs tors. theta energy: -254.248 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: 1 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2976.018221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.018221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.018221 (E_RNA) where: Base-Base interactions energy: -2116.224 where: short stacking energy: -868.743 Base-Backbone interact. energy: -1.404 local terms energy: -858.390782 where: bonds (distance) C4'-P energy: -156.728 bonds (distance) P-C4' energy: -156.406 flat angles C4'-P-C4' energy: -172.077 flat angles P-C4'-P energy: -125.687 tors. eta vs tors. theta energy: -247.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2905.350673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.350673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.350673 (E_RNA) where: Base-Base interactions energy: -2086.576 where: short stacking energy: -845.762 Base-Backbone interact. energy: -5.146 local terms energy: -813.629267 where: bonds (distance) C4'-P energy: -145.532 bonds (distance) P-C4' energy: -155.079 flat angles C4'-P-C4' energy: -177.853 flat angles P-C4'-P energy: -117.121 tors. eta vs tors. theta energy: -218.043 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: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2792.569435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.569435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.569435 (E_RNA) where: Base-Base interactions energy: -2027.133 where: short stacking energy: -807.502 Base-Backbone interact. energy: -1.236 local terms energy: -764.199794 where: bonds (distance) C4'-P energy: -132.569 bonds (distance) P-C4' energy: -136.398 flat angles C4'-P-C4' energy: -170.853 flat angles P-C4'-P energy: -111.964 tors. eta vs tors. theta energy: -212.415 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: 2 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2657.754226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.754226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.754226 (E_RNA) where: Base-Base interactions energy: -1912.239 where: short stacking energy: -772.044 Base-Backbone interact. energy: -1.777 local terms energy: -743.738543 where: bonds (distance) C4'-P energy: -120.506 bonds (distance) P-C4' energy: -155.774 flat angles C4'-P-C4' energy: -174.580 flat angles P-C4'-P energy: -96.131 tors. eta vs tors. theta energy: -196.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2463.692281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.692281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.692281 (E_RNA) where: Base-Base interactions energy: -1762.708 where: short stacking energy: -731.273 Base-Backbone interact. energy: 2.916 local terms energy: -703.900954 where: bonds (distance) C4'-P energy: -117.356 bonds (distance) P-C4' energy: -134.511 flat angles C4'-P-C4' energy: -170.889 flat angles P-C4'-P energy: -97.177 tors. eta vs tors. theta energy: -183.967 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: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2330.186443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.186443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.186443 (E_RNA) where: Base-Base interactions energy: -1604.389 where: short stacking energy: -696.595 Base-Backbone interact. energy: -5.312 local terms energy: -720.486043 where: bonds (distance) C4'-P energy: -127.459 bonds (distance) P-C4' energy: -141.674 flat angles C4'-P-C4' energy: -153.235 flat angles P-C4'-P energy: -112.900 tors. eta vs tors. theta energy: -185.218 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: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -2111.141768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.141768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.141768 (E_RNA) where: Base-Base interactions energy: -1458.223 where: short stacking energy: -590.103 Base-Backbone interact. energy: -6.993 local terms energy: -645.924893 where: bonds (distance) C4'-P energy: -133.034 bonds (distance) P-C4' energy: -132.605 flat angles C4'-P-C4' energy: -163.662 flat angles P-C4'-P energy: -79.974 tors. eta vs tors. theta energy: -136.650 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: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1781.944202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.944202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.944202 (E_RNA) where: Base-Base interactions energy: -1180.344 where: short stacking energy: -510.232 Base-Backbone interact. energy: -2.569 local terms energy: -599.031753 where: bonds (distance) C4'-P energy: -158.296 bonds (distance) P-C4' energy: -128.257 flat angles C4'-P-C4' energy: -139.720 flat angles P-C4'-P energy: -82.135 tors. eta vs tors. theta energy: -90.623 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: 8 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -1241.125644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.125644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.125644 (E_RNA) where: Base-Base interactions energy: -723.105 where: short stacking energy: -386.469 Base-Backbone interact. energy: -1.380 local terms energy: -516.641019 where: bonds (distance) C4'-P energy: -119.098 bonds (distance) P-C4' energy: -133.615 flat angles C4'-P-C4' energy: -125.659 flat angles P-C4'-P energy: -82.804 tors. eta vs tors. theta energy: -55.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3141.021631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.021631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.021631 (E_RNA) where: Base-Base interactions energy: -2240.813 where: short stacking energy: -942.234 Base-Backbone interact. energy: 2.546 local terms energy: -902.753730 where: bonds (distance) C4'-P energy: -158.392 bonds (distance) P-C4' energy: -162.323 flat angles C4'-P-C4' energy: -197.130 flat angles P-C4'-P energy: -133.713 tors. eta vs tors. theta energy: -251.196 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: 1 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2972.070281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.070281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.070281 (E_RNA) where: Base-Base interactions energy: -2116.215 where: short stacking energy: -894.536 Base-Backbone interact. energy: -1.457 local terms energy: -854.398761 where: bonds (distance) C4'-P energy: -148.220 bonds (distance) P-C4' energy: -145.919 flat angles C4'-P-C4' energy: -181.800 flat angles P-C4'-P energy: -134.636 tors. eta vs tors. theta energy: -243.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2889.215680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.215680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.215680 (E_RNA) where: Base-Base interactions energy: -2061.949 where: short stacking energy: -843.523 Base-Backbone interact. energy: -1.642 local terms energy: -825.624213 where: bonds (distance) C4'-P energy: -153.012 bonds (distance) P-C4' energy: -148.529 flat angles C4'-P-C4' energy: -179.338 flat angles P-C4'-P energy: -119.105 tors. eta vs tors. theta energy: -225.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2771.837698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.837698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.837698 (E_RNA) where: Base-Base interactions energy: -2002.004 where: short stacking energy: -795.403 Base-Backbone interact. energy: -0.899 local terms energy: -768.934278 where: bonds (distance) C4'-P energy: -128.653 bonds (distance) P-C4' energy: -153.873 flat angles C4'-P-C4' energy: -181.665 flat angles P-C4'-P energy: -100.851 tors. eta vs tors. theta energy: -203.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2636.510937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.510937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.510937 (E_RNA) where: Base-Base interactions energy: -1884.953 where: short stacking energy: -772.281 Base-Backbone interact. energy: -3.781 local terms energy: -747.777500 where: bonds (distance) C4'-P energy: -146.999 bonds (distance) P-C4' energy: -150.292 flat angles C4'-P-C4' energy: -157.889 flat angles P-C4'-P energy: -104.465 tors. eta vs tors. theta energy: -188.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2504.539593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.539593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.539593 (E_RNA) where: Base-Base interactions energy: -1778.535 where: short stacking energy: -740.610 Base-Backbone interact. energy: 3.278 local terms energy: -729.282505 where: bonds (distance) C4'-P energy: -141.937 bonds (distance) P-C4' energy: -136.482 flat angles C4'-P-C4' energy: -166.301 flat angles P-C4'-P energy: -105.199 tors. eta vs tors. theta energy: -179.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2303.264350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.264350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.264350 (E_RNA) where: Base-Base interactions energy: -1624.616 where: short stacking energy: -686.253 Base-Backbone interact. energy: 3.958 local terms energy: -682.606903 where: bonds (distance) C4'-P energy: -118.316 bonds (distance) P-C4' energy: -146.399 flat angles C4'-P-C4' energy: -143.896 flat angles P-C4'-P energy: -102.396 tors. eta vs tors. theta energy: -171.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -2013.368423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.368423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.368423 (E_RNA) where: Base-Base interactions energy: -1417.613 where: short stacking energy: -582.570 Base-Backbone interact. energy: -3.577 local terms energy: -592.177970 where: bonds (distance) C4'-P energy: -110.282 bonds (distance) P-C4' energy: -142.793 flat angles C4'-P-C4' energy: -147.903 flat angles P-C4'-P energy: -89.905 tors. eta vs tors. theta energy: -101.294 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: 479 Temperature: 1.300000 Total energy: -1870.614213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.614213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.614213 (E_RNA) where: Base-Base interactions energy: -1312.303 where: short stacking energy: -537.043 Base-Backbone interact. energy: -3.383 local terms energy: -554.929061 where: bonds (distance) C4'-P energy: -116.453 bonds (distance) P-C4' energy: -125.928 flat angles C4'-P-C4' energy: -135.119 flat angles P-C4'-P energy: -71.725 tors. eta vs tors. theta energy: -105.704 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: 479 Temperature: 1.350000 Total energy: -1196.239406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.239406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.239406 (E_RNA) where: Base-Base interactions energy: -741.276 where: short stacking energy: -401.610 Base-Backbone interact. energy: 3.246 local terms energy: -458.208860 where: bonds (distance) C4'-P energy: -103.092 bonds (distance) P-C4' energy: -103.162 flat angles C4'-P-C4' energy: -128.315 flat angles P-C4'-P energy: -56.577 tors. eta vs tors. theta energy: -67.062 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: 7 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3109.798609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.798609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.798609 (E_RNA) where: Base-Base interactions energy: -2240.861 where: short stacking energy: -923.022 Base-Backbone interact. energy: 4.187 local terms energy: -873.125164 where: bonds (distance) C4'-P energy: -148.561 bonds (distance) P-C4' energy: -169.492 flat angles C4'-P-C4' energy: -182.701 flat angles P-C4'-P energy: -126.028 tors. eta vs tors. theta energy: -246.344 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: 480 Temperature: 0.950000 Total energy: -2998.047847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.047847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.047847 (E_RNA) where: Base-Base interactions energy: -2141.260 where: short stacking energy: -894.326 Base-Backbone interact. energy: 0.467 local terms energy: -857.255275 where: bonds (distance) C4'-P energy: -137.856 bonds (distance) P-C4' energy: -159.407 flat angles C4'-P-C4' energy: -184.658 flat angles P-C4'-P energy: -125.336 tors. eta vs tors. theta energy: -249.998 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: 3 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2871.019530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.019530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.019530 (E_RNA) where: Base-Base interactions energy: -2072.365 where: short stacking energy: -840.119 Base-Backbone interact. energy: -3.324 local terms energy: -795.330325 where: bonds (distance) C4'-P energy: -134.715 bonds (distance) P-C4' energy: -145.829 flat angles C4'-P-C4' energy: -183.169 flat angles P-C4'-P energy: -107.795 tors. eta vs tors. theta energy: -223.821 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: 5 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2800.677995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.677995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.677995 (E_RNA) where: Base-Base interactions energy: -2025.146 where: short stacking energy: -799.895 Base-Backbone interact. energy: -2.900 local terms energy: -772.631483 where: bonds (distance) C4'-P energy: -137.384 bonds (distance) P-C4' energy: -147.034 flat angles C4'-P-C4' energy: -163.987 flat angles P-C4'-P energy: -117.078 tors. eta vs tors. theta energy: -207.149 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: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2644.991411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.991411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.991411 (E_RNA) where: Base-Base interactions energy: -1892.547 where: short stacking energy: -778.389 Base-Backbone interact. energy: -2.797 local terms energy: -749.647122 where: bonds (distance) C4'-P energy: -133.806 bonds (distance) P-C4' energy: -150.666 flat angles C4'-P-C4' energy: -164.954 flat angles P-C4'-P energy: -105.078 tors. eta vs tors. theta energy: -195.143 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: 6, replica: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2469.498313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.498313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.498313 (E_RNA) where: Base-Base interactions energy: -1765.325 where: short stacking energy: -753.164 Base-Backbone interact. energy: -4.509 local terms energy: -699.664121 where: bonds (distance) C4'-P energy: -129.691 bonds (distance) P-C4' energy: -119.416 flat angles C4'-P-C4' energy: -172.177 flat angles P-C4'-P energy: -93.897 tors. eta vs tors. theta energy: -184.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2303.391334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.391334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.391334 (E_RNA) where: Base-Base interactions energy: -1613.646 where: short stacking energy: -694.547 Base-Backbone interact. energy: 3.976 local terms energy: -693.721427 where: bonds (distance) C4'-P energy: -146.803 bonds (distance) P-C4' energy: -112.228 flat angles C4'-P-C4' energy: -162.056 flat angles P-C4'-P energy: -91.693 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: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -2026.854010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.854010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.854010 (E_RNA) where: Base-Base interactions energy: -1425.894 where: short stacking energy: -610.584 Base-Backbone interact. energy: 9.159 local terms energy: -610.118911 where: bonds (distance) C4'-P energy: -123.874 bonds (distance) P-C4' energy: -122.064 flat angles C4'-P-C4' energy: -143.634 flat angles P-C4'-P energy: -99.153 tors. eta vs tors. theta energy: -121.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1879.889334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.889334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.889334 (E_RNA) where: Base-Base interactions energy: -1292.662 where: short stacking energy: -558.895 Base-Backbone interact. energy: 4.306 local terms energy: -591.533613 where: bonds (distance) C4'-P energy: -136.405 bonds (distance) P-C4' energy: -119.341 flat angles C4'-P-C4' energy: -144.661 flat angles P-C4'-P energy: -91.973 tors. eta vs tors. theta energy: -99.154 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: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1191.973890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.973890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.973890 (E_RNA) where: Base-Base interactions energy: -733.550 where: short stacking energy: -372.479 Base-Backbone interact. energy: 0.096 local terms energy: -458.518966 where: bonds (distance) C4'-P energy: -98.458 bonds (distance) P-C4' energy: -125.173 flat angles C4'-P-C4' energy: -128.967 flat angles P-C4'-P energy: -63.777 tors. eta vs tors. theta energy: -42.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -3120.187979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.187979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.187979 (E_RNA) where: Base-Base interactions energy: -2234.947 where: short stacking energy: -941.997 Base-Backbone interact. energy: 0.899 local terms energy: -886.140171 where: bonds (distance) C4'-P energy: -158.222 bonds (distance) P-C4' energy: -169.039 flat angles C4'-P-C4' energy: -184.526 flat angles P-C4'-P energy: -124.076 tors. eta vs tors. theta energy: -250.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -3004.919197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.919197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.919197 (E_RNA) where: Base-Base interactions energy: -2135.115 where: short stacking energy: -902.296 Base-Backbone interact. energy: -5.598 local terms energy: -864.205961 where: bonds (distance) C4'-P energy: -148.852 bonds (distance) P-C4' energy: -149.565 flat angles C4'-P-C4' energy: -184.743 flat angles P-C4'-P energy: -131.532 tors. eta vs tors. theta energy: -249.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2850.087414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.087414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.087414 (E_RNA) where: Base-Base interactions energy: -2015.394 where: short stacking energy: -859.671 Base-Backbone interact. energy: 1.203 local terms energy: -835.896059 where: bonds (distance) C4'-P energy: -149.089 bonds (distance) P-C4' energy: -159.571 flat angles C4'-P-C4' energy: -186.079 flat angles P-C4'-P energy: -116.792 tors. eta vs tors. theta energy: -224.365 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: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2684.244098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.244098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.244098 (E_RNA) where: Base-Base interactions energy: -1929.884 where: short stacking energy: -737.166 Base-Backbone interact. energy: -3.205 local terms energy: -751.155755 where: bonds (distance) C4'-P energy: -132.870 bonds (distance) P-C4' energy: -151.420 flat angles C4'-P-C4' energy: -163.184 flat angles P-C4'-P energy: -108.624 tors. eta vs tors. theta energy: -195.058 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: 481 Temperature: 1.100000 Total energy: -2644.084972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.084972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.084972 (E_RNA) where: Base-Base interactions energy: -1906.677 where: short stacking energy: -795.558 Base-Backbone interact. energy: -3.214 local terms energy: -734.194716 where: bonds (distance) C4'-P energy: -124.202 bonds (distance) P-C4' energy: -138.020 flat angles C4'-P-C4' energy: -162.457 flat angles P-C4'-P energy: -106.908 tors. eta vs tors. theta energy: -202.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2468.606587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.606587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.606587 (E_RNA) where: Base-Base interactions energy: -1767.391 where: short stacking energy: -737.584 Base-Backbone interact. energy: -6.174 local terms energy: -695.040972 where: bonds (distance) C4'-P energy: -120.088 bonds (distance) P-C4' energy: -136.065 flat angles C4'-P-C4' energy: -156.936 flat angles P-C4'-P energy: -96.322 tors. eta vs tors. theta energy: -185.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -2310.333879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.333879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.333879 (E_RNA) where: Base-Base interactions energy: -1626.972 where: short stacking energy: -695.200 Base-Backbone interact. energy: -2.923 local terms energy: -680.439044 where: bonds (distance) C4'-P energy: -133.574 bonds (distance) P-C4' energy: -133.467 flat angles C4'-P-C4' energy: -148.640 flat angles P-C4'-P energy: -93.379 tors. eta vs tors. theta energy: -171.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -2087.669200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.669200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.669200 (E_RNA) where: Base-Base interactions energy: -1459.158 where: short stacking energy: -635.691 Base-Backbone interact. energy: -3.533 local terms energy: -624.978767 where: bonds (distance) C4'-P energy: -128.227 bonds (distance) P-C4' energy: -116.557 flat angles C4'-P-C4' energy: -147.454 flat angles P-C4'-P energy: -79.676 tors. eta vs tors. theta energy: -153.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1750.501220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.501220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.501220 (E_RNA) where: Base-Base interactions energy: -1217.544 where: short stacking energy: -529.124 Base-Backbone interact. energy: -1.212 local terms energy: -531.744986 where: bonds (distance) C4'-P energy: -99.046 bonds (distance) P-C4' energy: -127.067 flat angles C4'-P-C4' energy: -123.738 flat angles P-C4'-P energy: -73.598 tors. eta vs tors. theta energy: -108.295 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: 10, replica: 8 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1256.795772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.795772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.795772 (E_RNA) where: Base-Base interactions energy: -781.613 where: short stacking energy: -385.246 Base-Backbone interact. energy: 7.253 local terms energy: -482.436160 where: bonds (distance) C4'-P energy: -131.650 bonds (distance) P-C4' energy: -133.305 flat angles C4'-P-C4' energy: -111.587 flat angles P-C4'-P energy: -58.684 tors. eta vs tors. theta energy: -47.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3134.306007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.306007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.306007 (E_RNA) where: Base-Base interactions energy: -2252.272 where: short stacking energy: -915.748 Base-Backbone interact. energy: 3.527 local terms energy: -885.561249 where: bonds (distance) C4'-P energy: -150.349 bonds (distance) P-C4' energy: -166.582 flat angles C4'-P-C4' energy: -189.520 flat angles P-C4'-P energy: -128.642 tors. eta vs tors. theta energy: -250.468 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: 482 Temperature: 0.950000 Total energy: -3032.750622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.750622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.750622 (E_RNA) where: Base-Base interactions energy: -2164.193 where: short stacking energy: -905.179 Base-Backbone interact. energy: 5.259 local terms energy: -873.816436 where: bonds (distance) C4'-P energy: -149.653 bonds (distance) P-C4' energy: -151.554 flat angles C4'-P-C4' energy: -184.451 flat angles P-C4'-P energy: -129.040 tors. eta vs tors. theta energy: -259.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2878.265564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.265564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.265564 (E_RNA) where: Base-Base interactions energy: -2090.319 where: short stacking energy: -861.545 Base-Backbone interact. energy: -4.677 local terms energy: -783.270523 where: bonds (distance) C4'-P energy: -132.105 bonds (distance) P-C4' energy: -143.223 flat angles C4'-P-C4' energy: -180.538 flat angles P-C4'-P energy: -101.103 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: 5 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2756.225372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.225372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.225372 (E_RNA) where: Base-Base interactions energy: -1986.825 where: short stacking energy: -808.075 Base-Backbone interact. energy: -3.033 local terms energy: -766.367404 where: bonds (distance) C4'-P energy: -124.027 bonds (distance) P-C4' energy: -153.958 flat angles C4'-P-C4' energy: -156.381 flat angles P-C4'-P energy: -113.357 tors. eta vs tors. theta energy: -218.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2663.155603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.155603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.155603 (E_RNA) where: Base-Base interactions energy: -1934.102 where: short stacking energy: -787.174 Base-Backbone interact. energy: -3.257 local terms energy: -725.797030 where: bonds (distance) C4'-P energy: -112.971 bonds (distance) P-C4' energy: -142.330 flat angles C4'-P-C4' energy: -170.190 flat angles P-C4'-P energy: -103.629 tors. eta vs tors. theta energy: -196.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2404.439479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.439479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.439479 (E_RNA) where: Base-Base interactions energy: -1687.799 where: short stacking energy: -721.748 Base-Backbone interact. energy: -2.069 local terms energy: -714.571912 where: bonds (distance) C4'-P energy: -138.932 bonds (distance) P-C4' energy: -123.405 flat angles C4'-P-C4' energy: -162.805 flat angles P-C4'-P energy: -110.446 tors. eta vs tors. theta energy: -178.984 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: 4 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -2348.699682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.699682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.699682 (E_RNA) where: Base-Base interactions energy: -1684.885 where: short stacking energy: -696.501 Base-Backbone interact. energy: 0.309 local terms energy: -664.123712 where: bonds (distance) C4'-P energy: -118.234 bonds (distance) P-C4' energy: -132.604 flat angles C4'-P-C4' energy: -139.390 flat angles P-C4'-P energy: -91.749 tors. eta vs tors. theta energy: -182.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -2082.222943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.222943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.222943 (E_RNA) where: Base-Base interactions energy: -1414.772 where: short stacking energy: -587.598 Base-Backbone interact. energy: -3.591 local terms energy: -663.859732 where: bonds (distance) C4'-P energy: -137.568 bonds (distance) P-C4' energy: -134.332 flat angles C4'-P-C4' energy: -156.038 flat angles P-C4'-P energy: -87.985 tors. eta vs tors. theta energy: -147.936 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: 9, replica: 9 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1758.068799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.068799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.068799 (E_RNA) where: Base-Base interactions energy: -1186.991 where: short stacking energy: -513.931 Base-Backbone interact. energy: -1.292 local terms energy: -569.785134 where: bonds (distance) C4'-P energy: -120.498 bonds (distance) P-C4' energy: -122.450 flat angles C4'-P-C4' energy: -128.235 flat angles P-C4'-P energy: -88.010 tors. eta vs tors. theta energy: -110.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1234.026048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.026048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.026048 (E_RNA) where: Base-Base interactions energy: -721.426 where: short stacking energy: -383.821 Base-Backbone interact. energy: -2.063 local terms energy: -510.536586 where: bonds (distance) C4'-P energy: -119.416 bonds (distance) P-C4' energy: -131.660 flat angles C4'-P-C4' energy: -125.532 flat angles P-C4'-P energy: -81.437 tors. eta vs tors. theta energy: -52.491 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: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3126.214993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.214993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.214993 (E_RNA) where: Base-Base interactions energy: -2247.496 where: short stacking energy: -921.785 Base-Backbone interact. energy: 4.231 local terms energy: -882.950526 where: bonds (distance) C4'-P energy: -151.030 bonds (distance) P-C4' energy: -158.608 flat angles C4'-P-C4' energy: -182.163 flat angles P-C4'-P energy: -134.881 tors. eta vs tors. theta energy: -256.268 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: 2, replica: 1 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2997.916355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.916355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.916355 (E_RNA) where: Base-Base interactions energy: -2136.670 where: short stacking energy: -920.660 Base-Backbone interact. energy: 3.335 local terms energy: -864.580848 where: bonds (distance) C4'-P energy: -141.954 bonds (distance) P-C4' energy: -147.027 flat angles C4'-P-C4' energy: -189.998 flat angles P-C4'-P energy: -126.951 tors. eta vs tors. theta energy: -258.652 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: 483 Temperature: 1.000000 Total energy: -2894.635924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.635924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.635924 (E_RNA) where: Base-Base interactions energy: -2104.833 where: short stacking energy: -850.213 Base-Backbone interact. energy: -3.617 local terms energy: -786.185007 where: bonds (distance) C4'-P energy: -157.314 bonds (distance) P-C4' energy: -151.251 flat angles C4'-P-C4' energy: -164.892 flat angles P-C4'-P energy: -99.814 tors. eta vs tors. theta energy: -212.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2737.726029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.726029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.726029 (E_RNA) where: Base-Base interactions energy: -1973.594 where: short stacking energy: -784.283 Base-Backbone interact. energy: -7.782 local terms energy: -756.349965 where: bonds (distance) C4'-P energy: -132.158 bonds (distance) P-C4' energy: -142.648 flat angles C4'-P-C4' energy: -169.466 flat angles P-C4'-P energy: -106.549 tors. eta vs tors. theta energy: -205.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2642.387469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.387469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.387469 (E_RNA) where: Base-Base interactions energy: -1872.358 where: short stacking energy: -786.661 Base-Backbone interact. energy: -4.288 local terms energy: -765.742156 where: bonds (distance) C4'-P energy: -129.551 bonds (distance) P-C4' energy: -170.481 flat angles C4'-P-C4' energy: -166.983 flat angles P-C4'-P energy: -98.487 tors. eta vs tors. theta energy: -200.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2380.055486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.055486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.055486 (E_RNA) where: Base-Base interactions energy: -1662.425 where: short stacking energy: -695.809 Base-Backbone interact. energy: -0.608 local terms energy: -717.022587 where: bonds (distance) C4'-P energy: -135.268 bonds (distance) P-C4' energy: -149.103 flat angles C4'-P-C4' energy: -153.016 flat angles P-C4'-P energy: -106.216 tors. eta vs tors. theta energy: -173.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -2374.366430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.366430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.366430 (E_RNA) where: Base-Base interactions energy: -1674.668 where: short stacking energy: -702.316 Base-Backbone interact. energy: -4.877 local terms energy: -694.821905 where: bonds (distance) C4'-P energy: -132.821 bonds (distance) P-C4' energy: -141.735 flat angles C4'-P-C4' energy: -151.669 flat angles P-C4'-P energy: -97.105 tors. eta vs tors. theta energy: -171.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -2153.586547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.586547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.586547 (E_RNA) where: Base-Base interactions energy: -1508.379 where: short stacking energy: -637.694 Base-Backbone interact. energy: -3.099 local terms energy: -642.108219 where: bonds (distance) C4'-P energy: -122.071 bonds (distance) P-C4' energy: -127.012 flat angles C4'-P-C4' energy: -148.586 flat angles P-C4'-P energy: -99.808 tors. eta vs tors. theta energy: -144.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1760.133097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.133097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.133097 (E_RNA) where: Base-Base interactions energy: -1176.224 where: short stacking energy: -499.748 Base-Backbone interact. energy: -2.266 local terms energy: -581.642955 where: bonds (distance) C4'-P energy: -124.110 bonds (distance) P-C4' energy: -151.524 flat angles C4'-P-C4' energy: -136.090 flat angles P-C4'-P energy: -88.239 tors. eta vs tors. theta energy: -81.679 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: 8 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1258.755920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.755920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.755920 (E_RNA) where: Base-Base interactions energy: -770.000 where: short stacking energy: -382.711 Base-Backbone interact. energy: 0.557 local terms energy: -489.312261 where: bonds (distance) C4'-P energy: -135.292 bonds (distance) P-C4' energy: -123.120 flat angles C4'-P-C4' energy: -117.084 flat angles P-C4'-P energy: -71.003 tors. eta vs tors. theta energy: -42.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3125.998513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.998513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.998513 (E_RNA) where: Base-Base interactions energy: -2265.676 where: short stacking energy: -930.441 Base-Backbone interact. energy: 0.258 local terms energy: -860.580711 where: bonds (distance) C4'-P energy: -153.471 bonds (distance) P-C4' energy: -166.608 flat angles C4'-P-C4' energy: -169.055 flat angles P-C4'-P energy: -121.343 tors. eta vs tors. theta energy: -250.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2978.194005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.194005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.194005 (E_RNA) where: Base-Base interactions energy: -2119.470 where: short stacking energy: -883.119 Base-Backbone interact. energy: 1.157 local terms energy: -859.880960 where: bonds (distance) C4'-P energy: -154.459 bonds (distance) P-C4' energy: -135.086 flat angles C4'-P-C4' energy: -182.341 flat angles P-C4'-P energy: -128.385 tors. eta vs tors. theta energy: -259.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2924.522047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.522047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.522047 (E_RNA) where: Base-Base interactions energy: -2106.628 where: short stacking energy: -858.354 Base-Backbone interact. energy: -6.303 local terms energy: -811.591427 where: bonds (distance) C4'-P energy: -152.144 bonds (distance) P-C4' energy: -130.095 flat angles C4'-P-C4' energy: -180.208 flat angles P-C4'-P energy: -130.609 tors. eta vs tors. theta energy: -218.535 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: 5 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2737.956560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.956560 (E_RNA) where: Base-Base interactions energy: -1971.682 where: short stacking energy: -782.496 Base-Backbone interact. energy: -2.300 local terms energy: -763.974846 where: bonds (distance) C4'-P energy: -141.445 bonds (distance) P-C4' energy: -149.263 flat angles C4'-P-C4' energy: -171.427 flat angles P-C4'-P energy: -106.379 tors. eta vs tors. theta energy: -195.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2658.604499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.604499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.604499 (E_RNA) where: Base-Base interactions energy: -1905.839 where: short stacking energy: -789.334 Base-Backbone interact. energy: -2.404 local terms energy: -750.361513 where: bonds (distance) C4'-P energy: -141.214 bonds (distance) P-C4' energy: -125.882 flat angles C4'-P-C4' energy: -162.490 flat angles P-C4'-P energy: -112.777 tors. eta vs tors. theta energy: -207.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2396.603309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.603309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.603309 (E_RNA) where: Base-Base interactions energy: -1658.050 where: short stacking energy: -703.539 Base-Backbone interact. energy: 0.540 local terms energy: -739.093374 where: bonds (distance) C4'-P energy: -139.813 bonds (distance) P-C4' energy: -158.658 flat angles C4'-P-C4' energy: -164.373 flat angles P-C4'-P energy: -95.494 tors. eta vs tors. theta energy: -180.756 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: 484 Temperature: 1.200000 Total energy: -2307.300624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.300624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.300624 (E_RNA) where: Base-Base interactions energy: -1655.284 where: short stacking energy: -707.085 Base-Backbone interact. energy: -3.210 local terms energy: -648.806796 where: bonds (distance) C4'-P energy: -112.696 bonds (distance) P-C4' energy: -119.425 flat angles C4'-P-C4' energy: -154.275 flat angles P-C4'-P energy: -80.128 tors. eta vs tors. theta energy: -182.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -2079.186198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.186198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.186198 (E_RNA) where: Base-Base interactions energy: -1452.233 where: short stacking energy: -619.665 Base-Backbone interact. energy: -1.349 local terms energy: -625.603700 where: bonds (distance) C4'-P energy: -118.538 bonds (distance) P-C4' energy: -141.326 flat angles C4'-P-C4' energy: -124.991 flat angles P-C4'-P energy: -105.566 tors. eta vs tors. theta energy: -135.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1864.441827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.441827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.441827 (E_RNA) where: Base-Base interactions energy: -1301.986 where: short stacking energy: -573.685 Base-Backbone interact. energy: 4.701 local terms energy: -567.156212 where: bonds (distance) C4'-P energy: -107.922 bonds (distance) P-C4' energy: -127.588 flat angles C4'-P-C4' energy: -131.746 flat angles P-C4'-P energy: -89.132 tors. eta vs tors. theta energy: -110.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1343.122421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.122421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.122421 (E_RNA) where: Base-Base interactions energy: -863.460 where: short stacking energy: -401.244 Base-Backbone interact. energy: 5.447 local terms energy: -485.108553 where: bonds (distance) C4'-P energy: -130.058 bonds (distance) P-C4' energy: -130.967 flat angles C4'-P-C4' energy: -113.535 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: -47.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3144.409883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.409883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.409883 (E_RNA) where: Base-Base interactions energy: -2252.555 where: short stacking energy: -912.722 Base-Backbone interact. energy: 8.657 local terms energy: -900.511957 where: bonds (distance) C4'-P energy: -167.815 bonds (distance) P-C4' energy: -158.702 flat angles C4'-P-C4' energy: -187.106 flat angles P-C4'-P energy: -131.534 tors. eta vs tors. theta energy: -255.354 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: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2984.760889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.760889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.760889 (E_RNA) where: Base-Base interactions energy: -2106.810 where: short stacking energy: -890.427 Base-Backbone interact. energy: -2.211 local terms energy: -875.739562 where: bonds (distance) C4'-P energy: -159.520 bonds (distance) P-C4' energy: -151.628 flat angles C4'-P-C4' energy: -190.544 flat angles P-C4'-P energy: -125.136 tors. eta vs tors. theta energy: -248.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2912.393131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.393131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.393131 (E_RNA) where: Base-Base interactions energy: -2120.235 where: short stacking energy: -868.152 Base-Backbone interact. energy: -0.598 local terms energy: -791.560090 where: bonds (distance) C4'-P energy: -131.126 bonds (distance) P-C4' energy: -146.271 flat angles C4'-P-C4' energy: -176.785 flat angles P-C4'-P energy: -107.907 tors. eta vs tors. theta energy: -229.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2754.316245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.316245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.316245 (E_RNA) where: Base-Base interactions energy: -1969.632 where: short stacking energy: -804.875 Base-Backbone interact. energy: -4.565 local terms energy: -780.118724 where: bonds (distance) C4'-P energy: -141.331 bonds (distance) P-C4' energy: -156.328 flat angles C4'-P-C4' energy: -175.788 flat angles P-C4'-P energy: -102.681 tors. eta vs tors. theta energy: -203.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2684.988808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.988808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.988808 (E_RNA) where: Base-Base interactions energy: -1909.781 where: short stacking energy: -790.200 Base-Backbone interact. energy: -4.806 local terms energy: -770.402147 where: bonds (distance) C4'-P energy: -145.838 bonds (distance) P-C4' energy: -145.297 flat angles C4'-P-C4' energy: -170.634 flat angles P-C4'-P energy: -108.287 tors. eta vs tors. theta energy: -200.346 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: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2442.967228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.967228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.967228 (E_RNA) where: Base-Base interactions energy: -1697.938 where: short stacking energy: -728.321 Base-Backbone interact. energy: 0.070 local terms energy: -745.099810 where: bonds (distance) C4'-P energy: -131.250 bonds (distance) P-C4' energy: -139.865 flat angles C4'-P-C4' energy: -165.755 flat angles P-C4'-P energy: -112.667 tors. eta vs tors. theta energy: -195.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2317.173592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.173592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.173592 (E_RNA) where: Base-Base interactions energy: -1653.320 where: short stacking energy: -720.290 Base-Backbone interact. energy: 5.933 local terms energy: -669.786334 where: bonds (distance) C4'-P energy: -123.195 bonds (distance) P-C4' energy: -113.277 flat angles C4'-P-C4' energy: -146.016 flat angles P-C4'-P energy: -98.998 tors. eta vs tors. theta energy: -188.301 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: 485 Temperature: 1.250000 Total energy: -2143.430163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.430163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.430163 (E_RNA) where: Base-Base interactions energy: -1471.712 where: short stacking energy: -621.168 Base-Backbone interact. energy: -1.176 local terms energy: -670.541937 where: bonds (distance) C4'-P energy: -110.025 bonds (distance) P-C4' energy: -145.453 flat angles C4'-P-C4' energy: -156.718 flat angles P-C4'-P energy: -106.410 tors. eta vs tors. theta energy: -151.936 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: 9, replica: 9 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1881.029922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.029922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.029922 (E_RNA) where: Base-Base interactions energy: -1295.436 where: short stacking energy: -568.430 Base-Backbone interact. energy: -1.669 local terms energy: -583.924543 where: bonds (distance) C4'-P energy: -117.105 bonds (distance) P-C4' energy: -117.364 flat angles C4'-P-C4' energy: -140.585 flat angles P-C4'-P energy: -89.873 tors. eta vs tors. theta energy: -118.997 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: 8 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1320.994146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.994146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.994146 (E_RNA) where: Base-Base interactions energy: -839.502 where: short stacking energy: -406.890 Base-Backbone interact. energy: 0.326 local terms energy: -481.818038 where: bonds (distance) C4'-P energy: -106.833 bonds (distance) P-C4' energy: -114.400 flat angles C4'-P-C4' energy: -125.904 flat angles P-C4'-P energy: -70.449 tors. eta vs tors. theta energy: -64.232 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: 7 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -3142.695771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.695771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.695771 (E_RNA) where: Base-Base interactions energy: -2271.558 where: short stacking energy: -939.210 Base-Backbone interact. energy: 3.305 local terms energy: -874.442032 where: bonds (distance) C4'-P energy: -154.471 bonds (distance) P-C4' energy: -152.596 flat angles C4'-P-C4' energy: -195.110 flat angles P-C4'-P energy: -124.728 tors. eta vs tors. theta energy: -247.537 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: 1 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2975.598014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.598014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.598014 (E_RNA) where: Base-Base interactions energy: -2117.587 where: short stacking energy: -899.649 Base-Backbone interact. energy: 3.423 local terms energy: -861.433906 where: bonds (distance) C4'-P energy: -158.398 bonds (distance) P-C4' energy: -151.906 flat angles C4'-P-C4' energy: -177.553 flat angles P-C4'-P energy: -124.381 tors. eta vs tors. theta energy: -249.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2906.489240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.489240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.489240 (E_RNA) where: Base-Base interactions energy: -2115.532 where: short stacking energy: -861.906 Base-Backbone interact. energy: -4.105 local terms energy: -786.852165 where: bonds (distance) C4'-P energy: -143.555 bonds (distance) P-C4' energy: -131.237 flat angles C4'-P-C4' energy: -177.031 flat angles P-C4'-P energy: -112.780 tors. eta vs tors. theta energy: -222.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2775.787623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.787623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.787623 (E_RNA) where: Base-Base interactions energy: -1985.457 where: short stacking energy: -829.668 Base-Backbone interact. energy: -1.707 local terms energy: -788.623535 where: bonds (distance) C4'-P energy: -161.725 bonds (distance) P-C4' energy: -134.189 flat angles C4'-P-C4' energy: -164.880 flat angles P-C4'-P energy: -98.952 tors. eta vs tors. theta energy: -228.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2679.556084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.556084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.556084 (E_RNA) where: Base-Base interactions energy: -1914.184 where: short stacking energy: -802.115 Base-Backbone interact. energy: -3.449 local terms energy: -761.923012 where: bonds (distance) C4'-P energy: -159.842 bonds (distance) P-C4' energy: -142.728 flat angles C4'-P-C4' energy: -157.709 flat angles P-C4'-P energy: -98.407 tors. eta vs tors. theta energy: -203.238 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: 486 Temperature: 1.150000 Total energy: -2482.701402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.701402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.701402 (E_RNA) where: Base-Base interactions energy: -1764.825 where: short stacking energy: -733.455 Base-Backbone interact. energy: -2.866 local terms energy: -715.010450 where: bonds (distance) C4'-P energy: -127.701 bonds (distance) P-C4' energy: -150.272 flat angles C4'-P-C4' energy: -148.937 flat angles P-C4'-P energy: -105.873 tors. eta vs tors. theta energy: -182.228 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: 486 Temperature: 1.200000 Total energy: -2250.511753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.511753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.511753 (E_RNA) where: Base-Base interactions energy: -1576.089 where: short stacking energy: -676.062 Base-Backbone interact. energy: 6.603 local terms energy: -681.025007 where: bonds (distance) C4'-P energy: -125.957 bonds (distance) P-C4' energy: -140.221 flat angles C4'-P-C4' energy: -148.304 flat angles P-C4'-P energy: -87.045 tors. eta vs tors. theta energy: -179.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -2049.636073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.636073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.636073 (E_RNA) where: Base-Base interactions energy: -1423.642 where: short stacking energy: -627.540 Base-Backbone interact. energy: 3.141 local terms energy: -629.134502 where: bonds (distance) C4'-P energy: -124.196 bonds (distance) P-C4' energy: -131.624 flat angles C4'-P-C4' energy: -146.061 flat angles P-C4'-P energy: -94.215 tors. eta vs tors. theta energy: -133.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1852.627261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.627261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.627261 (E_RNA) where: Base-Base interactions energy: -1268.860 where: short stacking energy: -557.797 Base-Backbone interact. energy: -1.187 local terms energy: -582.580642 where: bonds (distance) C4'-P energy: -124.078 bonds (distance) P-C4' energy: -133.149 flat angles C4'-P-C4' energy: -129.086 flat angles P-C4'-P energy: -95.876 tors. eta vs tors. theta energy: -100.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -1408.380505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.380505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.380505 (E_RNA) where: Base-Base interactions energy: -868.389 where: short stacking energy: -408.714 Base-Backbone interact. energy: -3.074 local terms energy: -536.917648 where: bonds (distance) C4'-P energy: -117.146 bonds (distance) P-C4' energy: -132.857 flat angles C4'-P-C4' energy: -137.263 flat angles P-C4'-P energy: -79.726 tors. eta vs tors. theta energy: -69.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -3170.664534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.664534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.664534 (E_RNA) where: Base-Base interactions energy: -2283.971 where: short stacking energy: -941.039 Base-Backbone interact. energy: 2.609 local terms energy: -889.303190 where: bonds (distance) C4'-P energy: -165.492 bonds (distance) P-C4' energy: -162.188 flat angles C4'-P-C4' energy: -184.628 flat angles P-C4'-P energy: -123.868 tors. eta vs tors. theta energy: -253.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2991.425033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.425033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.425033 (E_RNA) where: Base-Base interactions energy: -2120.553 where: short stacking energy: -908.874 Base-Backbone interact. energy: -1.974 local terms energy: -868.898806 where: bonds (distance) C4'-P energy: -141.119 bonds (distance) P-C4' energy: -162.164 flat angles C4'-P-C4' energy: -180.752 flat angles P-C4'-P energy: -135.277 tors. eta vs tors. theta energy: -249.587 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: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2904.306810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.306810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.306810 (E_RNA) where: Base-Base interactions energy: -2099.221 where: short stacking energy: -829.828 Base-Backbone interact. energy: -2.946 local terms energy: -802.139288 where: bonds (distance) C4'-P energy: -146.937 bonds (distance) P-C4' energy: -166.940 flat angles C4'-P-C4' energy: -170.269 flat angles P-C4'-P energy: -111.949 tors. eta vs tors. theta energy: -206.045 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: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2742.399042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.399042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.399042 (E_RNA) where: Base-Base interactions energy: -1958.201 where: short stacking energy: -789.309 Base-Backbone interact. energy: 0.158 local terms energy: -784.355797 where: bonds (distance) C4'-P energy: -144.137 bonds (distance) P-C4' energy: -146.876 flat angles C4'-P-C4' energy: -163.083 flat angles P-C4'-P energy: -114.099 tors. eta vs tors. theta energy: -216.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2689.372194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.372194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.372194 (E_RNA) where: Base-Base interactions energy: -1918.256 where: short stacking energy: -800.744 Base-Backbone interact. energy: -5.210 local terms energy: -765.905892 where: bonds (distance) C4'-P energy: -134.599 bonds (distance) P-C4' energy: -153.924 flat angles C4'-P-C4' energy: -172.591 flat angles P-C4'-P energy: -107.768 tors. eta vs tors. theta energy: -197.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2463.351234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.351234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.351234 (E_RNA) where: Base-Base interactions energy: -1715.355 where: short stacking energy: -726.447 Base-Backbone interact. energy: -2.003 local terms energy: -745.993124 where: bonds (distance) C4'-P energy: -136.057 bonds (distance) P-C4' energy: -147.690 flat angles C4'-P-C4' energy: -161.990 flat angles P-C4'-P energy: -121.019 tors. eta vs tors. theta energy: -179.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2303.368630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.368630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.368630 (E_RNA) where: Base-Base interactions energy: -1608.714 where: short stacking energy: -705.860 Base-Backbone interact. energy: -2.524 local terms energy: -692.130636 where: bonds (distance) C4'-P energy: -137.549 bonds (distance) P-C4' energy: -137.356 flat angles C4'-P-C4' energy: -145.221 flat angles P-C4'-P energy: -100.396 tors. eta vs tors. theta energy: -171.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -2096.717548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.717548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.717548 (E_RNA) where: Base-Base interactions energy: -1457.763 where: short stacking energy: -635.073 Base-Backbone interact. energy: -1.559 local terms energy: -637.395186 where: bonds (distance) C4'-P energy: -125.385 bonds (distance) P-C4' energy: -137.141 flat angles C4'-P-C4' energy: -144.202 flat angles P-C4'-P energy: -81.639 tors. eta vs tors. theta energy: -149.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1816.590169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.590169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.590169 (E_RNA) where: Base-Base interactions energy: -1259.759 where: short stacking energy: -517.009 Base-Backbone interact. energy: 0.593 local terms energy: -557.423835 where: bonds (distance) C4'-P energy: -113.945 bonds (distance) P-C4' energy: -139.799 flat angles C4'-P-C4' energy: -131.594 flat angles P-C4'-P energy: -73.542 tors. eta vs tors. theta energy: -98.544 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: 8 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -1371.866481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.866481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.866481 (E_RNA) where: Base-Base interactions energy: -841.104 where: short stacking energy: -389.635 Base-Backbone interact. energy: 4.694 local terms energy: -535.456410 where: bonds (distance) C4'-P energy: -125.108 bonds (distance) P-C4' energy: -136.265 flat angles C4'-P-C4' energy: -126.738 flat angles P-C4'-P energy: -87.437 tors. eta vs tors. theta energy: -59.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -3139.828094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.828094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.828094 (E_RNA) where: Base-Base interactions energy: -2251.583 where: short stacking energy: -954.416 Base-Backbone interact. energy: -0.844 local terms energy: -887.400990 where: bonds (distance) C4'-P energy: -167.813 bonds (distance) P-C4' energy: -161.195 flat angles C4'-P-C4' energy: -181.963 flat angles P-C4'-P energy: -126.973 tors. eta vs tors. theta energy: -249.457 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: 1 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2998.279456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.279456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.279456 (E_RNA) where: Base-Base interactions energy: -2124.999 where: short stacking energy: -900.911 Base-Backbone interact. energy: -4.874 local terms energy: -868.406558 where: bonds (distance) C4'-P energy: -154.970 bonds (distance) P-C4' energy: -159.759 flat angles C4'-P-C4' energy: -174.852 flat angles P-C4'-P energy: -123.304 tors. eta vs tors. theta energy: -255.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2905.097077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.097077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.097077 (E_RNA) where: Base-Base interactions energy: -2073.182 where: short stacking energy: -832.704 Base-Backbone interact. energy: -4.999 local terms energy: -826.916291 where: bonds (distance) C4'-P energy: -156.017 bonds (distance) P-C4' energy: -148.713 flat angles C4'-P-C4' energy: -183.181 flat angles P-C4'-P energy: -116.256 tors. eta vs tors. theta energy: -222.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2746.083205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.083205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.083205 (E_RNA) where: Base-Base interactions energy: -1992.836 where: short stacking energy: -798.588 Base-Backbone interact. energy: -0.135 local terms energy: -753.112107 where: bonds (distance) C4'-P energy: -149.176 bonds (distance) P-C4' energy: -143.624 flat angles C4'-P-C4' energy: -158.790 flat angles P-C4'-P energy: -101.711 tors. eta vs tors. theta energy: -199.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2681.733183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.733183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.733183 (E_RNA) where: Base-Base interactions energy: -1913.215 where: short stacking energy: -790.638 Base-Backbone interact. energy: -2.497 local terms energy: -766.020970 where: bonds (distance) C4'-P energy: -144.393 bonds (distance) P-C4' energy: -153.946 flat angles C4'-P-C4' energy: -173.696 flat angles P-C4'-P energy: -112.199 tors. eta vs tors. theta energy: -181.787 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: 10 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2510.252171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.252171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.252171 (E_RNA) where: Base-Base interactions energy: -1763.186 where: short stacking energy: -760.128 Base-Backbone interact. energy: -3.760 local terms energy: -743.305945 where: bonds (distance) C4'-P energy: -122.279 bonds (distance) P-C4' energy: -148.447 flat angles C4'-P-C4' energy: -176.495 flat angles P-C4'-P energy: -101.061 tors. eta vs tors. theta energy: -195.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -2201.591938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.591938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.591938 (E_RNA) where: Base-Base interactions energy: -1541.304 where: short stacking energy: -667.035 Base-Backbone interact. energy: 5.932 local terms energy: -666.219853 where: bonds (distance) C4'-P energy: -129.012 bonds (distance) P-C4' energy: -144.297 flat angles C4'-P-C4' energy: -132.994 flat angles P-C4'-P energy: -94.134 tors. eta vs tors. theta energy: -165.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -2144.647580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.647580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.647580 (E_RNA) where: Base-Base interactions energy: -1504.142 where: short stacking energy: -675.980 Base-Backbone interact. energy: -7.040 local terms energy: -633.466178 where: bonds (distance) C4'-P energy: -125.131 bonds (distance) P-C4' energy: -118.392 flat angles C4'-P-C4' energy: -146.962 flat angles P-C4'-P energy: -80.425 tors. eta vs tors. theta energy: -162.557 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: 488 Temperature: 1.300000 Total energy: -1838.649187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.649187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.649187 (E_RNA) where: Base-Base interactions energy: -1286.270 where: short stacking energy: -529.562 Base-Backbone interact. energy: 1.294 local terms energy: -553.673608 where: bonds (distance) C4'-P energy: -126.316 bonds (distance) P-C4' energy: -123.039 flat angles C4'-P-C4' energy: -122.073 flat angles P-C4'-P energy: -84.867 tors. eta vs tors. theta energy: -97.379 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: 8 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1394.325194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.325194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.325194 (E_RNA) where: Base-Base interactions energy: -898.476 where: short stacking energy: -384.857 Base-Backbone interact. energy: 4.421 local terms energy: -500.269605 where: bonds (distance) C4'-P energy: -119.568 bonds (distance) P-C4' energy: -138.073 flat angles C4'-P-C4' energy: -106.390 flat angles P-C4'-P energy: -79.297 tors. eta vs tors. theta energy: -56.941 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: 7 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -3128.278915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.278915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.278915 (E_RNA) where: Base-Base interactions energy: -2257.291 where: short stacking energy: -932.356 Base-Backbone interact. energy: 3.138 local terms energy: -874.126330 where: bonds (distance) C4'-P energy: -143.006 bonds (distance) P-C4' energy: -181.692 flat angles C4'-P-C4' energy: -172.638 flat angles P-C4'-P energy: -130.694 tors. eta vs tors. theta energy: -246.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2999.189750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.189750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.189750 (E_RNA) where: Base-Base interactions energy: -2124.390 where: short stacking energy: -876.811 Base-Backbone interact. energy: -3.894 local terms energy: -870.905686 where: bonds (distance) C4'-P energy: -154.293 bonds (distance) P-C4' energy: -146.807 flat angles C4'-P-C4' energy: -195.275 flat angles P-C4'-P energy: -123.361 tors. eta vs tors. theta energy: -251.170 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: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2924.532531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.532531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.532531 (E_RNA) where: Base-Base interactions energy: -2141.045 where: short stacking energy: -874.690 Base-Backbone interact. energy: -6.253 local terms energy: -777.234212 where: bonds (distance) C4'-P energy: -133.839 bonds (distance) P-C4' energy: -136.097 flat angles C4'-P-C4' energy: -151.559 flat angles P-C4'-P energy: -124.362 tors. eta vs tors. theta energy: -231.377 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: 5 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2705.349292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.349292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.349292 (E_RNA) where: Base-Base interactions energy: -1927.997 where: short stacking energy: -798.774 Base-Backbone interact. energy: -7.563 local terms energy: -769.788916 where: bonds (distance) C4'-P energy: -130.344 bonds (distance) P-C4' energy: -153.190 flat angles C4'-P-C4' energy: -170.916 flat angles P-C4'-P energy: -103.742 tors. eta vs tors. theta energy: -211.597 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: 2 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2677.283073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.283073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.283073 (E_RNA) where: Base-Base interactions energy: -1915.982 where: short stacking energy: -802.062 Base-Backbone interact. energy: 1.755 local terms energy: -763.056374 where: bonds (distance) C4'-P energy: -138.195 bonds (distance) P-C4' energy: -150.788 flat angles C4'-P-C4' energy: -162.905 flat angles P-C4'-P energy: -102.879 tors. eta vs tors. theta energy: -208.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2491.494747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.494747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.494747 (E_RNA) where: Base-Base interactions energy: -1757.921 where: short stacking energy: -759.489 Base-Backbone interact. energy: -1.668 local terms energy: -731.905876 where: bonds (distance) C4'-P energy: -142.640 bonds (distance) P-C4' energy: -129.691 flat angles C4'-P-C4' energy: -156.685 flat angles P-C4'-P energy: -109.699 tors. eta vs tors. theta energy: -193.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -2252.162252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.162252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.162252 (E_RNA) where: Base-Base interactions energy: -1608.072 where: short stacking energy: -677.782 Base-Backbone interact. energy: -1.759 local terms energy: -642.331880 where: bonds (distance) C4'-P energy: -112.478 bonds (distance) P-C4' energy: -131.400 flat angles C4'-P-C4' energy: -158.760 flat angles P-C4'-P energy: -86.662 tors. eta vs tors. theta energy: -153.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -2099.888379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.888379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.888379 (E_RNA) where: Base-Base interactions energy: -1449.474 where: short stacking energy: -638.647 Base-Backbone interact. energy: 5.659 local terms energy: -656.072892 where: bonds (distance) C4'-P energy: -118.967 bonds (distance) P-C4' energy: -151.267 flat angles C4'-P-C4' energy: -144.801 flat angles P-C4'-P energy: -86.318 tors. eta vs tors. theta energy: -154.719 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: 489 Temperature: 1.300000 Total energy: -1888.789657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.789657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.789657 (E_RNA) where: Base-Base interactions energy: -1317.428 where: short stacking energy: -570.574 Base-Backbone interact. energy: -1.847 local terms energy: -569.514476 where: bonds (distance) C4'-P energy: -135.595 bonds (distance) P-C4' energy: -127.599 flat angles C4'-P-C4' energy: -134.867 flat angles P-C4'-P energy: -68.096 tors. eta vs tors. theta energy: -103.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1543.487896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.487896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.487896 (E_RNA) where: Base-Base interactions energy: -1060.709 where: short stacking energy: -474.582 Base-Backbone interact. energy: 2.018 local terms energy: -484.796913 where: bonds (distance) C4'-P energy: -116.522 bonds (distance) P-C4' energy: -119.788 flat angles C4'-P-C4' energy: -108.517 flat angles P-C4'-P energy: -61.640 tors. eta vs tors. theta energy: -78.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -3172.002708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.002708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.002708 (E_RNA) where: Base-Base interactions energy: -2289.400 where: short stacking energy: -956.903 Base-Backbone interact. energy: -0.836 local terms energy: -881.766813 where: bonds (distance) C4'-P energy: -146.126 bonds (distance) P-C4' energy: -162.812 flat angles C4'-P-C4' energy: -186.245 flat angles P-C4'-P energy: -133.453 tors. eta vs tors. theta energy: -253.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2981.445224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.445224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.445224 (E_RNA) where: Base-Base interactions energy: -2118.961 where: short stacking energy: -878.582 Base-Backbone interact. energy: -0.501 local terms energy: -861.983022 where: bonds (distance) C4'-P energy: -160.708 bonds (distance) P-C4' energy: -164.581 flat angles C4'-P-C4' energy: -177.364 flat angles P-C4'-P energy: -110.093 tors. eta vs tors. theta energy: -249.238 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: 3, replica: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2938.736880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.736880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.736880 (E_RNA) where: Base-Base interactions energy: -2105.631 where: short stacking energy: -845.133 Base-Backbone interact. energy: -5.019 local terms energy: -828.086518 where: bonds (distance) C4'-P energy: -153.114 bonds (distance) P-C4' energy: -146.859 flat angles C4'-P-C4' energy: -190.324 flat angles P-C4'-P energy: -110.082 tors. eta vs tors. theta energy: -227.708 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: 4, replica: 5 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2716.984617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.984617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.984617 (E_RNA) where: Base-Base interactions energy: -1921.345 where: short stacking energy: -786.759 Base-Backbone interact. energy: -8.020 local terms energy: -787.619934 where: bonds (distance) C4'-P energy: -135.485 bonds (distance) P-C4' energy: -155.000 flat angles C4'-P-C4' energy: -157.389 flat angles P-C4'-P energy: -129.187 tors. eta vs tors. theta energy: -210.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2621.628096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.628096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.628096 (E_RNA) where: Base-Base interactions energy: -1873.878 where: short stacking energy: -752.072 Base-Backbone interact. energy: -2.503 local terms energy: -745.247662 where: bonds (distance) C4'-P energy: -144.315 bonds (distance) P-C4' energy: -150.259 flat angles C4'-P-C4' energy: -169.743 flat angles P-C4'-P energy: -102.811 tors. eta vs tors. theta energy: -178.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2519.256410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.256410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.256410 (E_RNA) where: Base-Base interactions energy: -1780.645 where: short stacking energy: -752.956 Base-Backbone interact. energy: -2.522 local terms energy: -736.090108 where: bonds (distance) C4'-P energy: -143.041 bonds (distance) P-C4' energy: -140.620 flat angles C4'-P-C4' energy: -161.813 flat angles P-C4'-P energy: -98.601 tors. eta vs tors. theta energy: -192.016 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: 7, replica: 4 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -2245.939016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.939016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.939016 (E_RNA) where: Base-Base interactions energy: -1596.114 where: short stacking energy: -699.697 Base-Backbone interact. energy: 5.201 local terms energy: -655.026411 where: bonds (distance) C4'-P energy: -110.106 bonds (distance) P-C4' energy: -145.721 flat angles C4'-P-C4' energy: -142.858 flat angles P-C4'-P energy: -108.646 tors. eta vs tors. theta energy: -147.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -2072.216354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.216354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.216354 (E_RNA) where: Base-Base interactions energy: -1415.712 where: short stacking energy: -609.466 Base-Backbone interact. energy: 2.139 local terms energy: -658.643397 where: bonds (distance) C4'-P energy: -125.991 bonds (distance) P-C4' energy: -134.905 flat angles C4'-P-C4' energy: -139.632 flat angles P-C4'-P energy: -93.098 tors. eta vs tors. theta energy: -165.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1819.697612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.697612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.697612 (E_RNA) where: Base-Base interactions energy: -1218.585 where: short stacking energy: -529.244 Base-Backbone interact. energy: -0.154 local terms energy: -600.958634 where: bonds (distance) C4'-P energy: -119.819 bonds (distance) P-C4' energy: -144.915 flat angles C4'-P-C4' energy: -136.918 flat angles P-C4'-P energy: -93.874 tors. eta vs tors. theta energy: -105.432 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: 8 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1484.342032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.342032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.342032 (E_RNA) where: Base-Base interactions energy: -964.634 where: short stacking energy: -424.076 Base-Backbone interact. energy: -2.974 local terms energy: -516.734502 where: bonds (distance) C4'-P energy: -110.533 bonds (distance) P-C4' energy: -144.138 flat angles C4'-P-C4' energy: -123.973 flat angles P-C4'-P energy: -63.137 tors. eta vs tors. theta energy: -74.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -3122.911005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.911005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.911005 (E_RNA) where: Base-Base interactions energy: -2248.292 where: short stacking energy: -922.375 Base-Backbone interact. energy: -4.134 local terms energy: -870.484980 where: bonds (distance) C4'-P energy: -158.911 bonds (distance) P-C4' energy: -155.468 flat angles C4'-P-C4' energy: -192.950 flat angles P-C4'-P energy: -119.744 tors. eta vs tors. theta energy: -243.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2998.069250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.069250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.069250 (E_RNA) where: Base-Base interactions energy: -2123.622 where: short stacking energy: -897.493 Base-Backbone interact. energy: 4.373 local terms energy: -878.821078 where: bonds (distance) C4'-P energy: -150.549 bonds (distance) P-C4' energy: -162.957 flat angles C4'-P-C4' energy: -187.130 flat angles P-C4'-P energy: -122.559 tors. eta vs tors. theta energy: -255.626 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: 3, replica: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2904.015906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.015906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.015906 (E_RNA) where: Base-Base interactions energy: -2114.385 where: short stacking energy: -871.037 Base-Backbone interact. energy: -0.353 local terms energy: -789.278019 where: bonds (distance) C4'-P energy: -142.754 bonds (distance) P-C4' energy: -145.208 flat angles C4'-P-C4' energy: -164.189 flat angles P-C4'-P energy: -108.252 tors. eta vs tors. theta energy: -228.874 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: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2790.923587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.923587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.923587 (E_RNA) where: Base-Base interactions energy: -2016.982 where: short stacking energy: -811.518 Base-Backbone interact. energy: -1.489 local terms energy: -772.452674 where: bonds (distance) C4'-P energy: -146.950 bonds (distance) P-C4' energy: -141.194 flat angles C4'-P-C4' energy: -168.528 flat angles P-C4'-P energy: -110.206 tors. eta vs tors. theta energy: -205.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2681.780672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.780672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.780672 (E_RNA) where: Base-Base interactions energy: -1939.917 where: short stacking energy: -788.701 Base-Backbone interact. energy: -2.094 local terms energy: -739.769187 where: bonds (distance) C4'-P energy: -127.748 bonds (distance) P-C4' energy: -143.226 flat angles C4'-P-C4' energy: -157.155 flat angles P-C4'-P energy: -111.684 tors. eta vs tors. theta energy: -199.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2507.709830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.709830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.709830 (E_RNA) where: Base-Base interactions energy: -1779.436 where: short stacking energy: -739.570 Base-Backbone interact. energy: -4.348 local terms energy: -723.926798 where: bonds (distance) C4'-P energy: -125.476 bonds (distance) P-C4' energy: -148.758 flat angles C4'-P-C4' energy: -157.984 flat angles P-C4'-P energy: -110.507 tors. eta vs tors. theta energy: -181.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -2244.106628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.106628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.106628 (E_RNA) where: Base-Base interactions energy: -1574.479 where: short stacking energy: -674.306 Base-Backbone interact. energy: 4.665 local terms energy: -674.293365 where: bonds (distance) C4'-P energy: -141.903 bonds (distance) P-C4' energy: -117.369 flat angles C4'-P-C4' energy: -156.153 flat angles P-C4'-P energy: -92.723 tors. eta vs tors. theta energy: -166.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -2060.066313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.066313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.066313 (E_RNA) where: Base-Base interactions energy: -1428.980 where: short stacking energy: -636.059 Base-Backbone interact. energy: -0.594 local terms energy: -630.492310 where: bonds (distance) C4'-P energy: -138.989 bonds (distance) P-C4' energy: -124.592 flat angles C4'-P-C4' energy: -139.991 flat angles P-C4'-P energy: -83.998 tors. eta vs tors. theta energy: -142.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1763.044023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.044023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.044023 (E_RNA) where: Base-Base interactions energy: -1212.335 where: short stacking energy: -513.289 Base-Backbone interact. energy: -2.770 local terms energy: -547.938926 where: bonds (distance) C4'-P energy: -124.147 bonds (distance) P-C4' energy: -123.970 flat angles C4'-P-C4' energy: -124.634 flat angles P-C4'-P energy: -85.160 tors. eta vs tors. theta energy: -90.029 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: 10, replica: 8 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -1521.710309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.710309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.710309 (E_RNA) where: Base-Base interactions energy: -983.700 where: short stacking energy: -447.723 Base-Backbone interact. energy: 3.322 local terms energy: -541.331530 where: bonds (distance) C4'-P energy: -115.013 bonds (distance) P-C4' energy: -134.380 flat angles C4'-P-C4' energy: -129.098 flat angles P-C4'-P energy: -80.917 tors. eta vs tors. theta energy: -81.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -3095.879444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.879444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.879444 (E_RNA) where: Base-Base interactions energy: -2216.392 where: short stacking energy: -917.440 Base-Backbone interact. energy: -2.704 local terms energy: -876.783635 where: bonds (distance) C4'-P energy: -155.172 bonds (distance) P-C4' energy: -162.571 flat angles C4'-P-C4' energy: -193.953 flat angles P-C4'-P energy: -117.034 tors. eta vs tors. theta energy: -248.054 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: 2, replica: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -3011.260571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.260571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.260571 (E_RNA) where: Base-Base interactions energy: -2146.258 where: short stacking energy: -919.302 Base-Backbone interact. energy: -4.998 local terms energy: -860.003932 where: bonds (distance) C4'-P energy: -149.289 bonds (distance) P-C4' energy: -157.403 flat angles C4'-P-C4' energy: -177.454 flat angles P-C4'-P energy: -121.936 tors. eta vs tors. theta energy: -253.921 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: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2899.913700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.913700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.913700 (E_RNA) where: Base-Base interactions energy: -2101.395 where: short stacking energy: -864.383 Base-Backbone interact. energy: -7.205 local terms energy: -791.313544 where: bonds (distance) C4'-P energy: -127.985 bonds (distance) P-C4' energy: -157.470 flat angles C4'-P-C4' energy: -182.293 flat angles P-C4'-P energy: -98.648 tors. eta vs tors. theta energy: -224.918 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: 4, replica: 5 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2751.460328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.460328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.460328 (E_RNA) where: Base-Base interactions energy: -1976.599 where: short stacking energy: -814.303 Base-Backbone interact. energy: -1.195 local terms energy: -773.667054 where: bonds (distance) C4'-P energy: -148.892 bonds (distance) P-C4' energy: -142.059 flat angles C4'-P-C4' energy: -164.869 flat angles P-C4'-P energy: -105.679 tors. eta vs tors. theta energy: -212.168 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: 2 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2654.695079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.695079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.695079 (E_RNA) where: Base-Base interactions energy: -1918.434 where: short stacking energy: -793.047 Base-Backbone interact. energy: -4.146 local terms energy: -732.115137 where: bonds (distance) C4'-P energy: -132.700 bonds (distance) P-C4' energy: -130.202 flat angles C4'-P-C4' energy: -159.926 flat angles P-C4'-P energy: -117.941 tors. eta vs tors. theta energy: -191.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2463.016288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.016288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.016288 (E_RNA) where: Base-Base interactions energy: -1754.722 where: short stacking energy: -723.355 Base-Backbone interact. energy: 5.238 local terms energy: -713.532751 where: bonds (distance) C4'-P energy: -141.113 bonds (distance) P-C4' energy: -141.476 flat angles C4'-P-C4' energy: -160.893 flat angles P-C4'-P energy: -101.445 tors. eta vs tors. theta energy: -168.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -2199.096080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.096080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.096080 (E_RNA) where: Base-Base interactions energy: -1499.139 where: short stacking energy: -652.449 Base-Backbone interact. energy: -3.931 local terms energy: -696.026151 where: bonds (distance) C4'-P energy: -129.569 bonds (distance) P-C4' energy: -146.987 flat angles C4'-P-C4' energy: -161.907 flat angles P-C4'-P energy: -102.468 tors. eta vs tors. theta energy: -155.094 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: 492 Temperature: 1.250000 Total energy: -2107.690709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.690709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.690709 (E_RNA) where: Base-Base interactions energy: -1473.805 where: short stacking energy: -609.327 Base-Backbone interact. energy: 1.325 local terms energy: -635.210245 where: bonds (distance) C4'-P energy: -127.313 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -133.925 flat angles P-C4'-P energy: -91.992 tors. eta vs tors. theta energy: -149.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1756.931411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.931411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.931411 (E_RNA) where: Base-Base interactions energy: -1169.852 where: short stacking energy: -531.554 Base-Backbone interact. energy: 0.888 local terms energy: -587.967738 where: bonds (distance) C4'-P energy: -115.045 bonds (distance) P-C4' energy: -131.062 flat angles C4'-P-C4' energy: -149.073 flat angles P-C4'-P energy: -91.216 tors. eta vs tors. theta energy: -101.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1481.251844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.251844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.251844 (E_RNA) where: Base-Base interactions energy: -970.406 where: short stacking energy: -437.465 Base-Backbone interact. energy: 3.537 local terms energy: -514.382513 where: bonds (distance) C4'-P energy: -107.867 bonds (distance) P-C4' energy: -131.604 flat angles C4'-P-C4' energy: -148.844 flat angles P-C4'-P energy: -63.299 tors. eta vs tors. theta energy: -62.769 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: 7 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -3096.403075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.403075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.403075 (E_RNA) where: Base-Base interactions energy: -2242.749 where: short stacking energy: -928.945 Base-Backbone interact. energy: -0.554 local terms energy: -853.100393 where: bonds (distance) C4'-P energy: -149.595 bonds (distance) P-C4' energy: -148.014 flat angles C4'-P-C4' energy: -177.454 flat angles P-C4'-P energy: -122.852 tors. eta vs tors. theta energy: -255.185 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: 1 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2997.109660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.109660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.109660 (E_RNA) where: Base-Base interactions energy: -2124.659 where: short stacking energy: -902.990 Base-Backbone interact. energy: -3.169 local terms energy: -869.281697 where: bonds (distance) C4'-P energy: -160.497 bonds (distance) P-C4' energy: -150.454 flat angles C4'-P-C4' energy: -177.988 flat angles P-C4'-P energy: -126.122 tors. eta vs tors. theta energy: -254.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2894.070016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.070016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.070016 (E_RNA) where: Base-Base interactions energy: -2093.961 where: short stacking energy: -852.049 Base-Backbone interact. energy: 1.791 local terms energy: -801.900768 where: bonds (distance) C4'-P energy: -135.383 bonds (distance) P-C4' energy: -151.308 flat angles C4'-P-C4' energy: -177.292 flat angles P-C4'-P energy: -113.634 tors. eta vs tors. theta energy: -224.283 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: 4, replica: 5 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2780.212568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.212568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.212568 (E_RNA) where: Base-Base interactions energy: -2008.120 where: short stacking energy: -809.985 Base-Backbone interact. energy: 4.872 local terms energy: -776.964896 where: bonds (distance) C4'-P energy: -134.887 bonds (distance) P-C4' energy: -149.958 flat angles C4'-P-C4' energy: -166.911 flat angles P-C4'-P energy: -118.752 tors. eta vs tors. theta energy: -206.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2650.757195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.757195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.757195 (E_RNA) where: Base-Base interactions energy: -1920.065 where: short stacking energy: -776.077 Base-Backbone interact. energy: -3.733 local terms energy: -726.958855 where: bonds (distance) C4'-P energy: -136.229 bonds (distance) P-C4' energy: -143.879 flat angles C4'-P-C4' energy: -163.658 flat angles P-C4'-P energy: -88.732 tors. eta vs tors. theta energy: -194.461 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: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2491.452814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.452814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.452814 (E_RNA) where: Base-Base interactions energy: -1739.789 where: short stacking energy: -740.377 Base-Backbone interact. energy: -2.468 local terms energy: -749.195336 where: bonds (distance) C4'-P energy: -134.586 bonds (distance) P-C4' energy: -157.835 flat angles C4'-P-C4' energy: -155.549 flat angles P-C4'-P energy: -111.154 tors. eta vs tors. theta energy: -190.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -2203.743856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.743856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.743856 (E_RNA) where: Base-Base interactions energy: -1511.312 where: short stacking energy: -667.709 Base-Backbone interact. energy: -6.293 local terms energy: -686.138753 where: bonds (distance) C4'-P energy: -133.748 bonds (distance) P-C4' energy: -148.905 flat angles C4'-P-C4' energy: -137.641 flat angles P-C4'-P energy: -110.121 tors. eta vs tors. theta energy: -155.723 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: 8, replica: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -2176.433130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.433130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.433130 (E_RNA) where: Base-Base interactions energy: -1530.791 where: short stacking energy: -645.612 Base-Backbone interact. energy: -1.934 local terms energy: -643.708890 where: bonds (distance) C4'-P energy: -110.442 bonds (distance) P-C4' energy: -135.820 flat angles C4'-P-C4' energy: -150.583 flat angles P-C4'-P energy: -84.233 tors. eta vs tors. theta energy: -162.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1802.636816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.636816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.636816 (E_RNA) where: Base-Base interactions energy: -1228.553 where: short stacking energy: -535.621 Base-Backbone interact. energy: -2.223 local terms energy: -571.860845 where: bonds (distance) C4'-P energy: -125.740 bonds (distance) P-C4' energy: -121.896 flat angles C4'-P-C4' energy: -123.551 flat angles P-C4'-P energy: -85.232 tors. eta vs tors. theta energy: -115.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -1486.505087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.505087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.505087 (E_RNA) where: Base-Base interactions energy: -954.895 where: short stacking energy: -406.071 Base-Backbone interact. energy: -0.120 local terms energy: -531.490540 where: bonds (distance) C4'-P energy: -125.193 bonds (distance) P-C4' energy: -152.296 flat angles C4'-P-C4' energy: -116.467 flat angles P-C4'-P energy: -69.557 tors. eta vs tors. theta energy: -67.978 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: 1, replica: 7 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -3090.081063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.081063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.081063 (E_RNA) where: Base-Base interactions energy: -2193.857 where: short stacking energy: -901.497 Base-Backbone interact. energy: -5.894 local terms energy: -890.330736 where: bonds (distance) C4'-P energy: -167.118 bonds (distance) P-C4' energy: -168.778 flat angles C4'-P-C4' energy: -185.690 flat angles P-C4'-P energy: -121.502 tors. eta vs tors. theta energy: -247.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -3016.636621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.636621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.636621 (E_RNA) where: Base-Base interactions energy: -2154.260 where: short stacking energy: -907.593 Base-Backbone interact. energy: 1.154 local terms energy: -863.530488 where: bonds (distance) C4'-P energy: -148.214 bonds (distance) P-C4' energy: -146.531 flat angles C4'-P-C4' energy: -179.562 flat angles P-C4'-P energy: -129.329 tors. eta vs tors. theta energy: -259.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2900.145159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.145159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.145159 (E_RNA) where: Base-Base interactions energy: -2106.875 where: short stacking energy: -850.283 Base-Backbone interact. energy: 1.400 local terms energy: -794.670742 where: bonds (distance) C4'-P energy: -145.051 bonds (distance) P-C4' energy: -147.347 flat angles C4'-P-C4' energy: -177.993 flat angles P-C4'-P energy: -102.606 tors. eta vs tors. theta energy: -221.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2763.643251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.643251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.643251 (E_RNA) where: Base-Base interactions energy: -1954.304 where: short stacking energy: -801.814 Base-Backbone interact. energy: 0.365 local terms energy: -809.703954 where: bonds (distance) C4'-P energy: -156.193 bonds (distance) P-C4' energy: -150.482 flat angles C4'-P-C4' energy: -187.835 flat angles P-C4'-P energy: -115.607 tors. eta vs tors. theta energy: -199.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2674.842756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.842756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.842756 (E_RNA) where: Base-Base interactions energy: -1898.279 where: short stacking energy: -780.563 Base-Backbone interact. energy: -2.310 local terms energy: -774.254191 where: bonds (distance) C4'-P energy: -137.031 bonds (distance) P-C4' energy: -154.655 flat angles C4'-P-C4' energy: -172.585 flat angles P-C4'-P energy: -107.798 tors. eta vs tors. theta energy: -202.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2490.111624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.111624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.111624 (E_RNA) where: Base-Base interactions energy: -1759.029 where: short stacking energy: -736.613 Base-Backbone interact. energy: 2.701 local terms energy: -733.783279 where: bonds (distance) C4'-P energy: -145.869 bonds (distance) P-C4' energy: -129.044 flat angles C4'-P-C4' energy: -169.649 flat angles P-C4'-P energy: -98.640 tors. eta vs tors. theta energy: -190.581 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: 4 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -2227.547081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.547081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.547081 (E_RNA) where: Base-Base interactions energy: -1547.291 where: short stacking energy: -646.019 Base-Backbone interact. energy: -2.965 local terms energy: -677.291308 where: bonds (distance) C4'-P energy: -134.095 bonds (distance) P-C4' energy: -146.753 flat angles C4'-P-C4' energy: -137.922 flat angles P-C4'-P energy: -86.231 tors. eta vs tors. theta energy: -172.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -2212.232613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.232613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.232613 (E_RNA) where: Base-Base interactions energy: -1539.100 where: short stacking energy: -651.890 Base-Backbone interact. energy: -4.103 local terms energy: -669.030055 where: bonds (distance) C4'-P energy: -128.934 bonds (distance) P-C4' energy: -135.343 flat angles C4'-P-C4' energy: -148.334 flat angles P-C4'-P energy: -83.417 tors. eta vs tors. theta energy: -173.003 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: 9 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1766.740995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.740995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.740995 (E_RNA) where: Base-Base interactions energy: -1204.843 where: short stacking energy: -551.170 Base-Backbone interact. energy: 0.578 local terms energy: -562.475812 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -120.681 flat angles C4'-P-C4' energy: -131.543 flat angles P-C4'-P energy: -66.159 tors. eta vs tors. theta energy: -115.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -1439.566978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.566978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.566978 (E_RNA) where: Base-Base interactions energy: -916.258 where: short stacking energy: -392.168 Base-Backbone interact. energy: -1.450 local terms energy: -521.859022 where: bonds (distance) C4'-P energy: -110.377 bonds (distance) P-C4' energy: -142.895 flat angles C4'-P-C4' energy: -134.712 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: -66.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -3103.357959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.357959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.357959 (E_RNA) where: Base-Base interactions energy: -2235.682 where: short stacking energy: -936.260 Base-Backbone interact. energy: -4.794 local terms energy: -862.881282 where: bonds (distance) C4'-P energy: -144.109 bonds (distance) P-C4' energy: -155.226 flat angles C4'-P-C4' energy: -179.311 flat angles P-C4'-P energy: -128.903 tors. eta vs tors. theta energy: -255.332 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: 2, replica: 1 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -3024.209846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.209846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.209846 (E_RNA) where: Base-Base interactions energy: -2141.270 where: short stacking energy: -911.902 Base-Backbone interact. energy: -8.050 local terms energy: -874.889600 where: bonds (distance) C4'-P energy: -155.447 bonds (distance) P-C4' energy: -166.733 flat angles C4'-P-C4' energy: -171.355 flat angles P-C4'-P energy: -116.956 tors. eta vs tors. theta energy: -264.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2887.560150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.560150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.560150 (E_RNA) where: Base-Base interactions energy: -2066.012 where: short stacking energy: -835.370 Base-Backbone interact. energy: -5.928 local terms energy: -815.620625 where: bonds (distance) C4'-P energy: -143.969 bonds (distance) P-C4' energy: -154.430 flat angles C4'-P-C4' energy: -173.979 flat angles P-C4'-P energy: -126.699 tors. eta vs tors. theta energy: -216.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2780.496035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.496035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.496035 (E_RNA) where: Base-Base interactions energy: -2032.847 where: short stacking energy: -814.331 Base-Backbone interact. energy: -0.411 local terms energy: -747.238731 where: bonds (distance) C4'-P energy: -135.734 bonds (distance) P-C4' energy: -144.968 flat angles C4'-P-C4' energy: -164.877 flat angles P-C4'-P energy: -100.273 tors. eta vs tors. theta energy: -201.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2652.581985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.581985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.581985 (E_RNA) where: Base-Base interactions energy: -1874.076 where: short stacking energy: -776.906 Base-Backbone interact. energy: 4.070 local terms energy: -782.575780 where: bonds (distance) C4'-P energy: -129.462 bonds (distance) P-C4' energy: -151.956 flat angles C4'-P-C4' energy: -176.337 flat angles P-C4'-P energy: -121.608 tors. eta vs tors. theta energy: -203.213 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: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2489.019228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.019228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.019228 (E_RNA) where: Base-Base interactions energy: -1747.282 where: short stacking energy: -758.408 Base-Backbone interact. energy: -3.630 local terms energy: -738.107198 where: bonds (distance) C4'-P energy: -125.346 bonds (distance) P-C4' energy: -148.003 flat angles C4'-P-C4' energy: -169.438 flat angles P-C4'-P energy: -114.187 tors. eta vs tors. theta energy: -181.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -2240.839341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.839341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.839341 (E_RNA) where: Base-Base interactions energy: -1572.238 where: short stacking energy: -664.255 Base-Backbone interact. energy: -5.009 local terms energy: -663.591678 where: bonds (distance) C4'-P energy: -143.006 bonds (distance) P-C4' energy: -106.961 flat angles C4'-P-C4' energy: -152.371 flat angles P-C4'-P energy: -92.489 tors. eta vs tors. theta energy: -168.766 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: 6 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -2164.014690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.014690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.014690 (E_RNA) where: Base-Base interactions energy: -1506.256 where: short stacking energy: -615.758 Base-Backbone interact. energy: 2.180 local terms energy: -659.938551 where: bonds (distance) C4'-P energy: -118.250 bonds (distance) P-C4' energy: -127.366 flat angles C4'-P-C4' energy: -149.980 flat angles P-C4'-P energy: -111.185 tors. eta vs tors. theta energy: -153.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1801.049903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.049903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.049903 (E_RNA) where: Base-Base interactions energy: -1239.942 where: short stacking energy: -538.310 Base-Backbone interact. energy: 1.747 local terms energy: -562.854649 where: bonds (distance) C4'-P energy: -120.637 bonds (distance) P-C4' energy: -126.225 flat angles C4'-P-C4' energy: -132.877 flat angles P-C4'-P energy: -83.295 tors. eta vs tors. theta energy: -99.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1341.407537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.407537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.407537 (E_RNA) where: Base-Base interactions energy: -871.980 where: short stacking energy: -417.523 Base-Backbone interact. energy: -0.738 local terms energy: -468.688860 where: bonds (distance) C4'-P energy: -108.186 bonds (distance) P-C4' energy: -132.549 flat angles C4'-P-C4' energy: -128.934 flat angles P-C4'-P energy: -45.253 tors. eta vs tors. theta energy: -53.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -3077.594530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.594530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.594530 (E_RNA) where: Base-Base interactions energy: -2205.087 where: short stacking energy: -928.365 Base-Backbone interact. energy: -0.336 local terms energy: -872.171709 where: bonds (distance) C4'-P energy: -163.020 bonds (distance) P-C4' energy: -161.645 flat angles C4'-P-C4' energy: -178.358 flat angles P-C4'-P energy: -123.404 tors. eta vs tors. theta energy: -245.745 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: 2, replica: 1 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -3039.427786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.427786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.427786 (E_RNA) where: Base-Base interactions energy: -2122.866 where: short stacking energy: -901.575 Base-Backbone interact. energy: -4.695 local terms energy: -911.866048 where: bonds (distance) C4'-P energy: -159.119 bonds (distance) P-C4' energy: -176.904 flat angles C4'-P-C4' energy: -198.207 flat angles P-C4'-P energy: -128.749 tors. eta vs tors. theta energy: -248.887 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: 3 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2874.991739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.991739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.991739 (E_RNA) where: Base-Base interactions energy: -2065.855 where: short stacking energy: -838.269 Base-Backbone interact. energy: -3.889 local terms energy: -805.247552 where: bonds (distance) C4'-P energy: -140.036 bonds (distance) P-C4' energy: -154.018 flat angles C4'-P-C4' energy: -173.807 flat angles P-C4'-P energy: -122.513 tors. eta vs tors. theta energy: -214.874 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: 5 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2785.454563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.454563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.454563 (E_RNA) where: Base-Base interactions energy: -1977.916 where: short stacking energy: -819.936 Base-Backbone interact. energy: 0.334 local terms energy: -807.872365 where: bonds (distance) C4'-P energy: -152.801 bonds (distance) P-C4' energy: -161.239 flat angles C4'-P-C4' energy: -177.869 flat angles P-C4'-P energy: -104.141 tors. eta vs tors. theta energy: -211.823 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: 2 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2669.736482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.736482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.736482 (E_RNA) where: Base-Base interactions energy: -1885.631 where: short stacking energy: -788.501 Base-Backbone interact. energy: -1.343 local terms energy: -782.763050 where: bonds (distance) C4'-P energy: -145.106 bonds (distance) P-C4' energy: -155.854 flat angles C4'-P-C4' energy: -173.374 flat angles P-C4'-P energy: -94.425 tors. eta vs tors. theta energy: -214.004 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: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2502.371106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.371106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.371106 (E_RNA) where: Base-Base interactions energy: -1775.062 where: short stacking energy: -764.448 Base-Backbone interact. energy: -1.860 local terms energy: -725.449644 where: bonds (distance) C4'-P energy: -121.195 bonds (distance) P-C4' energy: -148.993 flat angles C4'-P-C4' energy: -155.955 flat angles P-C4'-P energy: -116.893 tors. eta vs tors. theta energy: -182.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -2258.075556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.075556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.075556 (E_RNA) where: Base-Base interactions energy: -1574.970 where: short stacking energy: -669.134 Base-Backbone interact. energy: -2.195 local terms energy: -680.910520 where: bonds (distance) C4'-P energy: -145.040 bonds (distance) P-C4' energy: -127.034 flat angles C4'-P-C4' energy: -157.622 flat angles P-C4'-P energy: -82.914 tors. eta vs tors. theta energy: -168.301 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: 4 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -2137.720145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.720145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.720145 (E_RNA) where: Base-Base interactions energy: -1509.915 where: short stacking energy: -619.808 Base-Backbone interact. energy: -0.015 local terms energy: -627.790462 where: bonds (distance) C4'-P energy: -102.723 bonds (distance) P-C4' energy: -123.424 flat angles C4'-P-C4' energy: -150.274 flat angles P-C4'-P energy: -86.722 tors. eta vs tors. theta energy: -164.647 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: 9 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1836.579905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.579905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.579905 (E_RNA) where: Base-Base interactions energy: -1237.000 where: short stacking energy: -561.078 Base-Backbone interact. energy: -0.250 local terms energy: -599.329287 where: bonds (distance) C4'-P energy: -131.936 bonds (distance) P-C4' energy: -123.743 flat angles C4'-P-C4' energy: -131.686 flat angles P-C4'-P energy: -85.543 tors. eta vs tors. theta energy: -126.421 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: 8 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1465.394931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.394931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.394931 (E_RNA) where: Base-Base interactions energy: -942.001 where: short stacking energy: -426.137 Base-Backbone interact. energy: 1.020 local terms energy: -524.413986 where: bonds (distance) C4'-P energy: -127.791 bonds (distance) P-C4' energy: -133.394 flat angles C4'-P-C4' energy: -115.152 flat angles P-C4'-P energy: -82.985 tors. eta vs tors. theta energy: -65.092 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) out arg RESULTS//1/Domain1_MIR31HG-d56c09d7_01 DONE DONE DONE DONE DONE DONE DONE DONE